data_2ky8_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 2ky8 _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 ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -87.6 150.6 23.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -1.203 . . . . 0.0 109.506 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.8 p -142.03 152.65 43.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 0.0 109.445 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -78.22 159.32 28.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 109.451 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.56 123.04 63.09 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.537 179.012 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.38 -31.49 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.264 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.97 -41.22 5.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.263 -0.898 . . . . 0.0 109.499 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 6.3 mp -71.83 154.58 92.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.534 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.32 135.63 0.66 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.819 2.346 . . . . 0.0 112.186 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.59 131.84 29.19 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 0.0 112.258 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.76 -33.22 5.46 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.66 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 12.9 m95 -55.54 133.43 50.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -1.191 . . . . 0.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -121.65 146.69 46.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -138.08 144.89 41.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.47 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -127.35 156.11 42.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.221 -0.924 . . . . 0.0 109.453 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -127.79 113.02 15.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 109.552 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.51 131.52 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.91 . . . . 0.0 109.414 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.2 mt -102.1 128.95 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 0.0 109.472 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -55.71 106.86 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.358 -0.838 . . . . 0.0 109.452 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -92.73 -11.02 35.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.0 109.487 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -99.0 130.43 45.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.335 -0.853 . . . . 0.0 109.432 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 143.24 11.33 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.703 ' C ' ' H ' ' A' ' 30' ' ' ALA . 9.0 tp -67.66 -31.36 71.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -1.185 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' ALA . 32.6 p -62.85 25.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.875 . . . . 0.0 109.492 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.703 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -45.02 147.17 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 0.0 109.46 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.06 -22.88 5.33 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -78.75 128.57 33.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -1.15 . . . . 0.0 109.459 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -132.54 154.2 50.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -128.34 148.12 50.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.2 131.77 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -115.21 148.53 38.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 0.0 109.442 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -126.48 139.55 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.435 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.503 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 84.7 m-85 -115.65 133.23 56.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.53 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.66 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -86.22 164.23 39.32 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.0 109.454 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.24 -26.42 81.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.892 2.394 . . . . 0.0 112.204 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -28.19 62.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.468 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.57 0.79 23.23 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -72.62 140.57 48.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -1.169 . . . . 0.0 109.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -96.74 140.13 31.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -0.955 . . . . 0.0 109.427 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.69 165.6 21.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.514 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.71 ' O ' ' CB ' ' A' ' 47' ' ' SER . 23.5 mtm180 -142.44 120.47 12.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.0 109.423 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.71 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.9 t 92.77 154.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.885 . . . . 0.0 109.393 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 36.5 tttt -63.11 -43.64 81.96 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 0.0 109.536 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.8 Cg_exo -50.44 -32.06 32.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.889 2.393 . . . . 0.0 112.369 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.55 -46.92 18.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 52.6 tp -65.8 -43.03 89.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 0.0 109.483 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.76 82.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.543 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.677 ' HG2' HH11 ' A' ' 53' ' ' ARG . 17.5 mtt-85 -60.98 -35.81 77.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.608 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.13 -46.23 81.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.49 -28.01 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.27 -133.49 28.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -106.89 35.72 2.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -1.162 . . . . 0.0 109.477 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.63 -21.38 17.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.432 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.8 t -148.4 152.59 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.459 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -105.67 120.51 41.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 0.0 109.413 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 11.0 mp -98.97 17.76 18.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.435 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.84 -43.64 90.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.9 m -89.15 8.27 30.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -102.9 115.62 30.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -0.875 . . . . 0.0 109.449 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 69' ' ' GLY . 64.5 t0 -93.72 103.39 15.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.484 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' C ' ' A' ' 67' ' ' ARG . 26.2 p90 -64.38 -43.56 94.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.249 -0.907 . . . . 0.0 109.468 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.595 HH11 ' HG3' ' A' ' 67' ' ' ARG . 30.4 mmm-85 -36.64 -48.28 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -106.35 -24.87 12.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.0 109.408 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 83.19 40.9 8.85 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -122.79 165.49 16.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.511 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.6 ttm . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 109.457 -179.701 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -88.72 150.22 23.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -1.132 . . . . 0.0 109.504 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -141.22 153.49 45.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.595 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 51.7 t0 -84.91 165.14 17.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.255 -0.903 . . . . 0.0 109.525 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -118.27 122.14 30.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 178.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.96 -15.64 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.353 . . . . 0.0 112.248 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.552 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -98.52 -41.95 7.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 9.6 mp -77.41 150.31 79.65 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.428 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -41.15 136.64 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.82 2.346 . . . . 0.0 112.151 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -48.39 125.37 12.1 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.819 2.346 . . . . 0.0 112.187 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.17 -32.03 4.69 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 35.2 m95 -58.51 133.03 55.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -1.122 . . . . 0.0 109.476 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -119.86 144.94 47.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' GLY . 32.2 mtpt -133.18 139.41 47.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.534 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -124.38 153.35 42.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.415 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -127.27 115.94 19.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.91 . . . . 0.0 109.527 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.81 131.98 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 109.46 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.3 mt -102.89 133.24 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.0 109.466 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.56 107.39 0.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.49 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -10.03 36.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -98.42 130.78 45.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.73 144.91 13.39 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.719 ' C ' ' H ' ' A' ' 30' ' ' ALA . 45.4 tp -68.41 -32.91 73.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 0.0 109.405 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' ALA . 81.0 p -61.75 25.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.508 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.719 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.0 148.5 0.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.09 -22.72 5.34 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.74 130.22 35.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 109.471 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 p -134.57 155.13 50.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.568 ' OD2' ' CZ ' ' A' ' 36' ' ' TYR . 3.0 p-10 -131.94 152.57 51.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.264 -0.897 . . . . 0.0 109.469 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.91 135.27 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 109.517 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CZ ' ' OD2' ' A' ' 34' ' ' ASP . 97.4 m-85 -110.86 147.48 34.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.21 129.51 55.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.0 109.469 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -115.12 131.56 56.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.436 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 p -103.06 171.13 5.47 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -19.77 58.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.827 2.351 . . . . 0.0 112.193 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' A' ' 43' ' ' LYS . 98.8 p -78.2 -3.6 43.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.912 . . . . 0.0 109.41 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.4 0.2 71.31 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' H ' ' HG ' ' A' ' 41' ' ' SER . 88.1 tttt -74.7 141.8 44.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -1.149 . . . . 0.0 109.48 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.23 138.66 31.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.44 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -124.93 152.65 43.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.459 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 ttp180 -143.38 116.94 9.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 0.0 109.436 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.8 p 95.94 149.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -58.75 -44.03 98.51 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.55 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 51.0 Cg_exo -52.63 -32.26 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.864 2.376 . . . . 0.0 112.255 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -77.34 -53.49 7.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.195 -0.94 . . . . 0.0 109.543 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.547 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tp -63.6 -46.71 84.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 109.497 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.14 70.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' HH11 ' A' ' 53' ' ' ARG . 56.2 ttt-85 -61.38 -36.5 80.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -65.78 -48.31 72.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 0.0 109.523 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.05 -27.46 69.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.0 109.559 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 -132.05 34.4 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -105.1 33.72 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -1.179 . . . . 0.0 109.477 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.23 -22.89 14.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.266 -0.896 . . . . 0.0 109.462 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.1 t -142.74 144.65 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -98.68 115.86 29.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' ' HZ1' ' A' ' 48' ' ' LYS . 4.2 mm? -107.06 12.68 28.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 109.444 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 t -71.77 -41.89 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.0 109.43 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.46 -40.31 96.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.421 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD1' ' N ' ' A' ' 65' ' ' ASP . 5.6 t80 -100.95 153.82 19.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.68 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 85.4 m-20 -99.86 -109.94 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.429 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -176.82 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -49.05 -25.57 2.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.0 109.485 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 p -102.18 -24.85 13.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.894 . . . . 0.0 109.413 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.56 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 72.35 23.34 78.1 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 54.4 mtmt -120.46 179.41 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -1.152 . . . . 0.0 109.439 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.552 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 10.1 tpt . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 0.0 109.455 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 7' ' ' ARG . 81.9 mtt-85 -84.19 141.96 30.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -1.117 . . . . 0.0 109.523 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -141.55 150.52 42.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 109.428 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 17' ' ' TRP . 37.8 m-20 -120.18 124.85 46.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.509 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.18 153.26 61.38 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.43 -9.14 21.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.793 2.328 . . . . 0.0 112.267 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.96 74.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.18 -0.95 . . . . 0.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.32 149.02 42.89 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.368 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -43.37 157.08 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.8 2.333 . . . . 0.0 112.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.16 119.09 6.12 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.803 2.335 . . . . 0.0 112.242 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.08 -34.53 3.67 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 82.4 m95 -61.0 133.91 56.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.339 -1.095 . . . . 0.0 109.459 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.39 144.71 48.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.511 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -120.99 135.92 55.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.242 -0.911 . . . . 0.0 109.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.64 151.35 43.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.378 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -128.09 112.39 14.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.17 130.59 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.469 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 75.2 mt -104.69 141.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.576 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -42.43 151.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.492 -179.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -111.74 -27.81 8.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.144 -0.973 . . . . 0.0 109.415 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 p -139.39 162.52 34.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.08 141.45 10.8 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 30' ' ' ALA . 6.7 tp -61.15 -15.19 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -1.156 . . . . 0.0 109.478 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -73.34 18.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.84 126.17 11.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.251 -0.905 . . . . 0.0 109.474 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.98 -25.48 4.63 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -82.82 144.81 29.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -1.103 . . . . 0.0 109.495 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -144.54 162.7 35.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 0.0 109.54 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -129.18 149.5 50.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -102.79 129.05 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -115.07 147.17 40.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.334 -0.854 . . . . 0.0 109.404 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 54.8 m-85 -123.96 137.56 54.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.491 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -118.25 133.75 55.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.444 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.429 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 1.4 p -94.34 157.75 36.91 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -56.72 -11.83 7.7 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.82 2.347 . . . . 0.0 112.199 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -83.99 -4.87 59.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.454 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.28 -3.71 85.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -76.58 141.25 41.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -1.148 . . . . 0.0 109.511 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -92.35 144.05 25.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.917 . . . . 0.0 109.442 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -128.43 154.17 46.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.517 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 47' ' ' SER . 5.1 ptm180 -159.23 66.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 109.492 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.764 ' HG ' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 166.27 119.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 109.452 -178.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 26.3 tttt -45.77 -54.15 17.35 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.482 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.722 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 14.3 Cg_endo -57.29 -22.96 51.8 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.824 2.349 . . . . 0.0 112.273 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.764 ' H ' ' HG ' ' A' ' 47' ' ' SER . 51.3 tp60 -75.83 -52.2 10.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.554 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 HD12 ' CH2' ' A' ' 17' ' ' TRP . 47.6 tp -64.32 -44.56 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.94 . . . . 0.0 109.58 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.76 71.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.271 -0.893 . . . . 0.0 109.537 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.602 ' HG3' HH11 ' A' ' 53' ' ' ARG . 23.2 ttm-85 -61.91 -38.03 86.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 0.0 109.609 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.88 -48.9 72.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.58 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.4 mp -68.89 -28.48 66.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 0.0 109.57 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.61 -131.9 26.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.44 36.35 2.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -1.176 . . . . 0.0 109.507 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.0 -22.46 17.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 109.374 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.59 151.16 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.304 -0.872 . . . . 0.0 109.419 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 42.5 p-10 -100.1 117.22 33.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 9.0 mp -99.93 15.08 28.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.485 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.6 p -57.15 -37.5 72.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 109.472 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.64 6.87 47.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 109.519 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -98.75 116.28 30.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 0.0 109.486 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 69' ' ' GLY . 89.4 m-20 -98.1 103.8 15.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 109.472 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 6.4 p90 -64.37 -41.0 96.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 0.0 109.474 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 11.5 ptp180 -56.58 -22.74 35.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.463 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 p -120.52 -10.79 9.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 0.0 109.538 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 57.08 35.59 70.24 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -126.61 159.24 34.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.505 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.446 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -76.21 169.95 17.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -1.137 . . . . 0.0 109.513 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -136.72 148.36 47.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.461 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.31 148.83 51.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 0.0 109.488 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -77.17 119.96 79.64 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.273 -0.892 . . . . 0.0 109.491 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.28 -50.9 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.889 2.393 . . . . 0.0 112.235 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 -28.51 8.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.0 109.521 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mt -69.94 148.18 96.18 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 62.1 Cg_exo -39.19 152.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.32 147.98 43.7 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.829 2.353 . . . . 0.0 112.265 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.69 -26.81 7.78 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.622 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 15.9 m95 -63.69 135.75 56.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -1.191 . . . . 0.0 109.458 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.07 151.52 51.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -0.982 . . . . 0.0 109.506 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -138.36 144.92 40.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 0.0 109.557 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 12.9 tm-20 -127.65 169.53 13.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 82.6 tt0 -128.81 108.82 10.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 109.424 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.0 t -94.58 128.52 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.469 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 81.7 mt -107.21 139.11 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ILE . 23.2 mmt180 -42.14 114.46 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.447 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -81.47 -29.14 33.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.232 -0.918 . . . . 0.0 109.472 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -133.81 159.17 41.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.494 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.22 142.07 11.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.569 ' C ' ' H ' ' A' ' 30' ' ' ALA . 7.8 tt -65.53 -16.05 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -1.175 . . . . 0.0 109.47 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -71.16 23.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.394 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.569 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.59 130.72 32.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 109.475 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.94 -29.55 3.91 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.41 139.08 37.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.157 . . . . 0.0 109.451 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -136.51 157.02 47.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.534 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.94 144.9 51.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.89 . . . . 0.0 109.486 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.93 126.19 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 0.0 109.505 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.49 152.9 24.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.539 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 92.3 m-85 -130.26 144.53 51.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 0.0 109.458 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.04 136.07 54.01 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.446 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.622 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -93.08 164.62 20.89 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.854 . . . . 0.0 109.422 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.26 -17.93 62.44 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.899 2.4 . . . . 0.0 112.205 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.4 p -86.5 -6.57 58.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.269 -0.894 . . . . 0.0 109.495 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.68 73.6 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -75.3 134.94 40.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -1.156 . . . . 0.0 109.469 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -104.54 145.48 30.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.309 -0.869 . . . . 0.0 109.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -143.49 -177.35 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.0 109.559 178.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.9 ttp180 -169.67 86.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 154.26 138.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tttm -57.07 -49.46 93.86 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 0.0 109.517 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 21.5 Cg_endo -60.44 -29.3 88.42 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.807 2.338 . . . . 0.0 112.368 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -74.53 -44.8 49.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.571 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 45' ' ' PHE . 96.1 mt -65.75 -43.0 90.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 109.577 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.45 72.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.555 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -66.22 -37.43 85.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.38 -47.99 52.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.214 -0.929 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.64 -24.44 67.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.604 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.17 -179.71 5.47 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' VAL . 98.4 m-20 -64.26 -25.45 68.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -1.116 . . . . 0.0 109.491 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.36 -26.44 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.0 109.425 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' ASN . 61.9 t -143.17 144.52 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.541 ' CG ' ' HG ' ' A' ' 62' ' ' SER . 42.8 t0 -108.21 120.61 42.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.55 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 5.4 mp -95.8 20.11 10.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.204 -0.935 . . . . 0.0 109.457 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.541 ' HG ' ' CG ' ' A' ' 60' ' ' ASP . 66.0 m -58.17 -42.67 86.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.94 8.4 4.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.438 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -96.3 122.23 38.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.459 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' PHE . 71.0 m-20 -70.34 -92.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.439 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.539 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 5.0 t80 163.65 -69.08 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 86.7 mtm180 -69.61 -40.48 76.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.186 -0.946 . . . . 0.0 109.452 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 69' ' ' GLY . 12.9 p -94.44 1.75 55.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 34.41 48.63 0.65 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -109.57 170.17 8.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -1.15 . . . . 0.0 109.518 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.205 -0.934 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.0 139.0 32.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 0.0 109.485 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -142.19 152.94 43.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.0 109.461 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 51.6 p-10 -75.22 156.31 35.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.448 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.03 120.15 35.84 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.204 -0.935 . . . . 0.0 109.421 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.36 -25.12 15.8 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.757 2.305 . . . . 0.0 112.241 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.92 -18.09 54.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 0.0 109.462 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 48.6 mt -111.69 143.22 28.15 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.0 109.483 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -41.03 160.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.785 2.323 . . . . 0.0 112.231 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 129.85 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.864 2.376 . . . . 0.0 112.24 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.53 -32.07 6.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.444 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 63.9 m95 -60.23 135.73 57.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.207 -1.172 . . . . 0.0 109.47 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.79 154.03 47.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.281 -0.887 . . . . 0.0 109.53 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -138.74 146.35 41.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -125.37 158.84 33.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -129.37 112.4 13.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.473 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.1 t -109.23 132.56 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 83.4 mt -102.3 128.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.192 -0.942 . . . . 0.0 109.474 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.683 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -44.16 111.15 0.26 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.868 . . . . 0.0 109.513 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -92.15 -23.19 19.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.49 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -102.6 131.66 49.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.269 -0.895 . . . . 0.0 109.511 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.93 138.78 8.75 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.712 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.9 tp -59.89 -28.17 67.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.282 -1.128 . . . . 0.0 109.514 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 p -61.72 24.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.712 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.81 138.42 29.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 0.0 109.44 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.58 -25.44 4.76 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -70.35 129.39 39.16 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -1.148 . . . . 0.0 109.421 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -117.89 144.55 45.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.527 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -126.21 142.32 51.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.181 -0.95 . . . . 0.0 109.394 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.89 128.71 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.933 . . . . 0.0 109.57 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -112.05 151.23 29.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 109.449 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.51 132.96 54.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -119.0 135.56 54.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -82.04 166.21 38.48 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.419 179.308 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.0 Cg_endo -58.66 -26.04 77.71 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.895 2.397 . . . . 0.0 112.146 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -74.88 -29.02 60.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.272 -0.892 . . . . 0.0 109.438 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.19 7.82 16.07 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.31 142.82 45.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -1.098 . . . . 0.0 109.484 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.61 135.51 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.877 . . . . 0.0 109.504 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -131.57 162.75 29.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 0.0 109.438 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -148.87 121.41 8.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.515 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.6 m 99.44 144.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.9 . . . . 0.0 109.479 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.832 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 1.6 ttpm? -56.85 -49.12 95.67 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.524 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.832 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.4 Cg_endo -51.93 -32.19 46.53 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.85 2.367 . . . . 0.0 112.261 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -73.07 -52.0 15.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.299 -0.876 . . . . 0.0 109.609 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.444 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -65.58 -43.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.897 . . . . 0.0 109.505 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.2 65.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 0.0 109.563 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.707 HH11 ' CG ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.01 -36.31 82.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 0.0 109.601 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.66 -53.9 44.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.481 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.58 -21.35 63.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.27 -128.83 28.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -106.15 34.67 3.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -1.142 . . . . 0.0 109.512 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.85 18.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.227 -0.92 . . . . 0.0 109.451 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.54 149.84 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.511 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -98.43 117.26 32.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.929 . . . . 0.0 109.485 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.5 18.99 21.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.398 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 t -55.38 -43.6 75.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.46 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.546 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -86.55 25.52 1.22 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -95.84 122.06 38.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 109.524 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.777 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.5 t0 -97.84 115.3 27.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' ARG . 75.6 t80 -54.55 -47.4 73.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.923 . . . . 0.0 109.439 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.1 tpm_? -38.41 -45.3 1.01 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.6 p -139.99 -38.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.0 109.521 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.777 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 94.08 74.86 1.27 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 63' ' ' CYS . 10.3 ptpp? -114.32 165.58 12.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -1.126 . . . . 0.0 109.471 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.0 ttm . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.486 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.45 143.88 29.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -1.145 . . . . 0.0 109.514 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -142.16 152.15 42.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.972 . . . . 0.0 109.468 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -73.88 154.68 39.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 109.478 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 t -115.16 131.38 23.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.0 109.415 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -71.97 -22.77 22.68 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.783 2.322 . . . . 0.0 112.264 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.15 -28.64 34.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 3.0 mm? -102.39 152.23 38.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.0 165.96 15.4 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.346 . . . . 0.0 112.193 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.64 126.69 20.36 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.845 2.363 . . . . 0.0 112.209 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -35.84 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CH2' ' HB3' ' A' ' 39' ' ' SER . 64.0 m95 -67.53 140.27 56.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.462 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.49 154.79 45.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.428 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.631 ' HZ2' ' CG2' ' A' ' 35' ' ' VAL . 26.7 tttp -127.92 137.82 52.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -128.74 150.5 50.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.0 109.469 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -129.73 122.66 29.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.4 131.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.427 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.95 129.79 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 109.478 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.655 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -48.13 110.77 0.36 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.931 . . . . 0.0 109.434 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -90.78 -19.27 23.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.47 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 p -106.19 132.86 51.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.908 . . . . 0.0 109.455 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.97 140.76 8.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.74 ' C ' ' H ' ' A' ' 30' ' ' ALA . 57.4 tp -66.81 -33.3 75.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -1.177 . . . . 0.0 109.474 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -60.36 26.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 0.0 109.521 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.74 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.71 143.61 3.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.192 -0.942 . . . . 0.0 109.48 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.34 -24.27 5.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -77.16 133.21 39.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.217 -1.166 . . . . 0.0 109.468 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -132.25 153.95 50.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 51.4 t0 -127.47 146.58 50.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.91 . . . . 0.0 109.409 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.631 ' CG2' ' HZ2' ' A' ' 19' ' ' LYS . 40.2 t -107.0 130.47 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 109.529 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -116.03 146.54 42.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.516 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -119.13 131.15 55.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 0.0 109.458 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -114.57 132.34 56.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.279 -0.888 . . . . 0.0 109.505 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -100.28 159.94 28.39 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.436 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.95 -15.45 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.784 2.323 . . . . 0.0 112.257 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.99 -2.89 46.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.515 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 0.84 88.11 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.03 142.25 36.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.411 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.46 144.45 25.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 41.6 m-85 -124.46 144.71 49.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.278 -0.889 . . . . 0.0 109.464 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' SER . 7.9 ptm180 -147.46 63.1 1.15 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.17 -0.956 . . . . 0.0 109.483 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER 164.63 115.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 -178.142 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.779 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 3.1 tmmm? -44.43 -50.61 22.4 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 109.465 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.779 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 19.0 Cg_endo -57.44 -24.43 60.97 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.35 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -73.98 -53.48 9.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.619 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD13 ' CH2' ' A' ' 17' ' ' TRP . 24.0 tp -62.83 -46.49 87.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.87 . . . . 0.0 109.546 178.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.48 -41.75 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.911 . . . . 0.0 109.58 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG3' HH11 ' A' ' 53' ' ' ARG . 49.2 ttm-85 -64.34 -39.51 94.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.662 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.22 -49.84 74.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.532 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.33 -24.15 67.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.507 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.94 36.25 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -104.74 32.68 3.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -1.151 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.88 -22.66 16.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 t -145.45 149.97 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 109.453 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 44.7 p-10 -103.3 119.46 38.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.506 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mp -107.05 14.93 25.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -62.76 -43.54 98.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.2 m -76.56 -27.24 55.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 48.4 t80 -66.77 129.39 39.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.463 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 91.8 m-20 -82.98 -170.41 3.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.0 109.438 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -130.94 -53.53 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.653 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.6 mmt-85 -61.11 -42.72 99.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 23.5 p -104.68 -2.3 25.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.897 . . . . 0.0 109.471 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.34 35.08 14.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 65' ' ' ASP . 95.7 mttt -113.44 161.87 16.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -1.193 . . . . 0.0 109.459 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.417 -179.736 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.16 163.38 27.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -1.166 . . . . 0.0 109.489 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -140.23 148.59 41.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.468 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 55.8 p-10 -75.55 153.78 37.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -119.28 117.16 33.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.68 -24.72 15.51 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.847 2.364 . . . . 0.0 112.251 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.51 -17.45 48.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.299 -0.876 . . . . 0.0 109.462 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.1 149.03 39.9 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.283 -0.885 . . . . 0.0 109.463 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -42.7 144.02 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.837 2.358 . . . . 0.0 112.168 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.14 124.02 10.96 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.778 2.318 . . . . 0.0 112.196 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.94 -31.07 5.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 42.5 m95 -60.57 136.87 58.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -1.186 . . . . 0.0 109.483 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -127.78 150.52 49.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.464 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.83 141.71 49.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 52.0 tp10 -121.31 156.14 33.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 80.8 tt0 -127.47 111.32 13.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.524 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.42 129.38 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 84.3 mt -106.3 145.04 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.464 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' ILE . 24.1 mmt180 -42.36 114.62 0.59 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.261 -0.9 . . . . 0.0 109.491 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.97 -30.58 31.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.2 t -128.64 153.57 47.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.48 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 137.93 8.2 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.733 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -67.01 -34.89 78.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.195 -1.18 . . . . 0.0 109.475 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -61.01 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.551 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.733 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -51.32 147.05 6.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.202 -0.936 . . . . 0.0 109.48 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.23 -26.84 4.63 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -79.94 139.61 37.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.43 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -138.89 158.77 43.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.534 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 67.5 t0 -127.91 145.18 51.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 61.2 t -103.45 126.34 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 -178.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -111.46 148.04 33.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.456 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.481 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 94.7 m-85 -122.54 134.7 54.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.908 . . . . 0.0 109.476 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.58 131.51 56.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.537 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.519 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -101.74 171.01 5.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 109.469 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.63 -24.12 43.75 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.193 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -80.12 2.37 24.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.257 -0.902 . . . . 0.0 109.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.0 6.05 63.21 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' ' H ' ' A' ' 44' ' ' LYS . 27.1 tptp -76.43 141.17 41.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.178 . . . . 0.0 109.452 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 9.5 ttmm -93.98 142.99 26.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.54 160.51 35.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.8 ttp180 -148.91 123.32 9.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.736 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 13.2 p 94.35 151.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.457 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.851 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 18.2 tttm -63.8 -48.41 79.37 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.851 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.1 Cg_endo -53.03 -33.99 65.58 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.827 2.351 . . . . 0.0 112.323 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -73.63 -49.65 25.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 109.564 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.491 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.76 78.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.536 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HG2' HH11 ' A' ' 53' ' ' ARG . 54.6 ttt-85 -63.73 -39.15 93.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -64.13 -47.49 79.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.534 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.69 -29.19 64.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.634 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.21 -172.13 38.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 59' ' ' VAL . 43.5 t30 -62.47 -25.99 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -1.139 . . . . 0.0 109.503 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.7 -25.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.915 . . . . 0.0 109.447 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 57' ' ' ASN . 4.1 t -140.27 139.88 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -102.48 118.38 36.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.508 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mp -102.7 21.61 15.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 p -60.62 -41.94 95.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.339 -0.851 . . . . 0.0 109.492 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.7 m -92.57 -9.36 41.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -68.83 119.01 12.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.5 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -90.92 92.15 8.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.445 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 27.7 p90 -59.79 -44.29 94.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.594 ' HE ' ' CA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -42.15 -40.39 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 p -99.46 -24.14 14.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.82 -8.59 79.59 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -150.39 138.69 20.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.517 179.078 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -82.94 136.22 34.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -1.128 . . . . 0.0 109.498 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.403 ' HG1' ' HE3' ' A' ' 19' ' ' LYS . 72.8 p -141.42 149.43 41.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.256 -0.902 . . . . 0.0 109.436 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -75.7 151.03 37.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.446 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.5 m -112.04 122.04 37.9 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -74.94 -29.57 8.2 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.834 2.356 . . . . 0.0 112.244 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -13.2 59.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 109.456 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 15.9 mt -116.5 145.58 35.56 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.494 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -40.18 153.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.819 2.346 . . . . 0.0 112.243 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.44 126.93 18.97 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.757 2.305 . . . . 0.0 112.247 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.07 -31.5 5.83 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 22.4 m95 -58.43 133.48 55.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -1.125 . . . . 0.0 109.403 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -131.21 156.02 46.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.4 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE3' ' HG1' ' A' ' 8' ' ' THR . 22.5 pttp -140.43 149.2 42.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -120.54 153.51 36.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.42 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -127.55 111.41 13.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.15 129.75 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 109.407 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.42 125.65 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.484 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -48.51 106.37 0.1 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 0.0 109.499 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.97 -19.18 21.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.436 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -101.17 132.02 46.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.493 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.36 144.15 12.39 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.69 ' C ' ' H ' ' A' ' 30' ' ' ALA . 58.8 tp -63.77 -22.36 66.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -1.159 . . . . 0.0 109.417 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -64.11 24.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.872 . . . . 0.0 109.429 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.69 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.62 132.43 13.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.485 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.57 -25.6 4.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -79.53 135.6 36.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -1.139 . . . . 0.0 109.424 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.5 p -138.43 157.99 45.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -128.33 147.81 50.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.5 t -109.81 129.39 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 109.541 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.44 148.84 32.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.501 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.538 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 72.8 m-85 -124.14 137.94 54.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.42 139.51 53.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.139 -0.976 . . . . 0.0 109.478 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.449 ' HG ' ' HH ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -111.55 171.46 4.32 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.0 109.44 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.58 -23.23 10.51 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.834 2.356 . . . . 0.0 112.199 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.7 m -78.06 -5.55 51.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.454 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.86 3.49 64.03 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 45' ' ' PHE . 27.1 tptp -73.65 140.22 45.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.194 -1.18 . . . . 0.0 109.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.83 137.87 34.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.273 -0.892 . . . . 0.0 109.447 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 43' ' ' LYS . 54.2 m-85 -129.8 164.16 24.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.752 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.0 mtm180 -144.08 119.3 10.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 109.405 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.752 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 4.5 t 96.51 155.67 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 109.492 177.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.876 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 32.2 ttpt -62.92 -46.87 87.6 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.876 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 11.3 Cg_endo -54.32 -31.93 69.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.317 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -74.01 -54.22 8.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt -66.37 -41.13 89.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.518 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.14 64.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 109.573 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 53' ' ' ARG . 80.0 mtt-85 -63.98 -34.19 77.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.641 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.449 ' HH ' ' HG ' ' A' ' 39' ' ' SER . 82.9 t80 -63.0 -50.54 70.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.74 -24.44 66.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.575 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.73 -131.06 31.35 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.78 32.99 3.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -1.14 . . . . 0.0 109.481 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.12 -21.6 17.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.493 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.88 147.93 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.0 109.471 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -103.97 120.83 41.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -114.11 20.59 15.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.9 m -84.25 -40.47 18.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.44 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.48 -44.65 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.384 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CG ' ' N ' ' A' ' 65' ' ' ASP . 94.1 t80 -106.65 164.42 12.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.444 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 64' ' ' PHE . 76.7 m-20 -78.58 -117.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.538 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 8.2 p90 -178.45 -17.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.179 -0.951 . . . . 0.0 109.485 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.672 HH11 ' CB ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -45.44 -40.81 8.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.539 -179.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.95 -37.55 5.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.869 . . . . 0.0 109.47 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.83 2.38 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -105.44 164.94 11.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -1.123 . . . . 0.0 109.423 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.452 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.0 169.36 17.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.491 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -139.08 150.46 45.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.435 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.61 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 56.3 t0 -80.34 158.93 25.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 0.0 109.51 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.61 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -100.11 120.52 56.54 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 109.413 178.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.9 -25.91 13.81 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.797 2.332 . . . . 0.0 112.228 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -100.75 -42.82 6.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.915 . . . . 0.0 109.478 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.8 153.96 91.2 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.499 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -39.47 136.99 1.0 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.793 2.328 . . . . 0.0 112.155 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.8 126.16 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.832 2.355 . . . . 0.0 112.185 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.43 -32.08 5.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 37.5 m95 -57.28 132.59 53.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -1.144 . . . . 0.0 109.494 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -119.83 145.31 46.75 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.449 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -126.79 138.4 53.35 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.544 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -122.6 145.25 48.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.41 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -127.24 113.02 15.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.497 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.7 131.85 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.941 . . . . 0.0 109.409 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.9 mt -99.74 128.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 109.483 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -51.11 108.08 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.0 109.494 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -92.85 -13.53 28.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.885 . . . . 0.0 109.444 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -100.65 130.93 46.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 0.0 109.512 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.82 142.41 11.04 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.707 ' C ' ' H ' ' A' ' 30' ' ' ALA . 8.5 tp -66.39 -28.37 68.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -1.171 . . . . 0.0 109.486 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.6 t -62.71 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.707 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.16 143.98 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.483 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.31 -22.88 5.25 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.88 134.87 35.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -1.151 . . . . 0.0 109.469 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.6 p -136.5 157.14 47.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.569 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -125.16 144.7 50.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.0 109.392 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -112.98 131.02 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.314 -0.866 . . . . 0.0 109.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -115.31 148.22 39.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -120.77 134.11 55.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.59 131.47 56.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -0.845 . . . . 0.0 109.473 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -103.41 170.84 5.73 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.284 -0.885 . . . . 0.0 109.459 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.12 -28.13 68.65 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.821 2.347 . . . . 0.0 112.257 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -72.46 -2.29 18.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.6 1.51 66.25 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.06 141.92 41.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -1.138 . . . . 0.0 109.452 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.97 142.15 27.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 0.0 109.455 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -126.46 151.64 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.776 ' O ' ' CB ' ' A' ' 47' ' ' SER . 29.3 mtm180 -135.67 108.48 7.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.776 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 22.3 p 98.53 152.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.457 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.786 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.9 tttm -56.19 -52.16 75.1 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.902 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.786 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 6.0 Cg_endo -49.2 -31.01 20.68 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.38 . . . . 0.0 112.332 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.739 ' NE2' HH21 ' A' ' 53' ' ' ARG . 1.3 tp-100 -72.27 -55.91 6.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.41 -41.74 80.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.0 109.483 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -48.24 -49.19 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 0.0 109.568 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.739 HH21 ' NE2' ' A' ' 50' ' ' GLN . 86.2 mtm180 -59.51 -31.37 69.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.574 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.44 -51.12 68.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.525 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.29 -57.33 2.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 93.19 -108.55 3.68 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -91.49 -16.94 26.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -1.155 . . . . 0.0 109.533 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.13 33.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.42 137.13 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 109.436 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -97.19 115.09 26.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.883 . . . . 0.0 109.425 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.69 10.1 36.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.421 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -57.6 -42.76 83.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.281 -0.887 . . . . 0.0 109.521 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.7 13.82 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.95 . . . . 0.0 109.422 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 85.9 t80 -104.2 126.24 51.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 109.456 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.632 ' OD1' ' N ' ' A' ' 70' ' ' LYS . 5.3 p30 -91.71 -164.96 1.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 24.6 m-85 -127.59 -45.32 1.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.264 -0.898 . . . . 0.0 109.44 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.524 ' NH1' ' HG3' ' A' ' 67' ' ' ARG . 4.5 mtm-85 -65.77 -41.43 92.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.505 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 70' ' ' LYS . 77.0 p -107.97 0.74 22.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.52 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 39.24 22.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.632 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 17.9 ttpt -81.92 164.19 21.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -1.132 . . . . 0.0 109.422 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.41 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 11.5 ttm . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.222 -0.923 . . . . 0.0 109.508 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.494 ' O ' ' OE2' ' A' ' 20' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -81.34 149.76 28.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 0.0 109.51 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -141.92 150.69 41.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -77.73 156.31 30.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.438 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 117.48 43.73 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.57 -25.6 24.66 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.355 . . . . 0.0 112.268 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.68 -10.04 59.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -0.923 . . . . 0.0 109.453 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.63 146.99 41.13 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -40.34 149.8 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.865 2.377 . . . . 0.0 112.149 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.37 122.5 8.72 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.823 2.349 . . . . 0.0 112.28 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.77 -30.91 5.16 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.428 ' CH2' HD11 ' A' ' 51' ' ' LEU . 28.0 m95 -59.8 133.63 56.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -1.132 . . . . 0.0 109.424 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -126.43 151.23 48.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.92 . . . . 0.0 109.44 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -142.99 147.97 36.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 109.499 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.607 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 5.2 tp10 -141.59 140.82 33.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.403 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 42.8 tt0 -107.9 127.11 53.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -0.911 . . . . 0.0 109.486 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.91 131.43 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.862 . . . . 0.0 109.404 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.3 mt -101.53 124.27 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.486 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 105.46 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.487 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -93.39 -15.83 25.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 109.46 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -97.7 131.09 44.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.497 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.35 146.0 17.86 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.611 ' C ' ' H ' ' A' ' 30' ' ' ALA . 11.4 tp -62.85 -15.7 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.412 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 23.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.424 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.611 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.38 130.45 13.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.248 -0.908 . . . . 0.0 109.529 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 -25.86 4.98 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 131.35 38.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.28 -1.13 . . . . 0.0 109.398 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 p -140.38 159.42 42.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 0.0 109.536 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 66.1 t0 -130.71 151.75 50.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.421 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.597 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 28.4 t -100.77 128.07 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 109.497 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -113.61 144.65 42.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.56 135.24 53.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.297 -0.877 . . . . 0.0 109.499 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.76 130.55 56.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.508 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.512 ' H ' ' HG ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -83.59 166.39 34.67 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.309 -0.87 . . . . 0.0 109.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.56 -34.12 61.29 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.805 2.336 . . . . 0.0 112.233 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -70.33 -29.64 66.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.39 9.97 14.11 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -74.3 143.66 44.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 0.0 109.513 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -97.52 141.21 30.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 109.476 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.645 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 27.8 m-85 -130.66 166.92 19.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 109.495 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.707 ' O ' ' CB ' ' A' ' 47' ' ' SER . 20.9 mtm180 -143.57 117.92 9.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.707 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 t 91.7 161.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.224 -0.923 . . . . 0.0 109.456 176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 18.8 tptm -69.13 -43.84 26.1 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.0 109.555 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 52.2 Cg_exo -49.77 -38.54 47.09 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.805 2.337 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.645 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 tm0? -73.85 -49.35 25.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 109.589 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD11 ' CH2' ' A' ' 17' ' ' TRP . 40.3 tp -63.72 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.557 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.03 74.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -64.37 -39.08 93.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.598 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.0 -49.01 74.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.474 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.21 -25.64 64.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 58' ' ' ALA . . . 66.68 -177.45 17.86 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.73 37.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -1.153 . . . . 0.0 109.501 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 56' ' ' GLY . . . -87.71 -22.1 24.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 109.497 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -146.17 151.27 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 36.1 p-10 -88.44 109.77 20.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.517 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.5 mt -97.63 12.25 34.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -51.59 -36.8 47.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.481 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 70' ' ' LYS . 80.2 m -83.46 11.61 6.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 109.449 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' ' HA2' ' A' ' 69' ' ' GLY . 29.0 t80 -95.32 113.29 24.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.176 -0.953 . . . . 0.0 109.478 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.581 ' CB ' ' OG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.37 71.45 0.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 0.0 109.433 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' A' ' 67' ' ' ARG . 91.4 m-85 55.51 -152.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.452 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 66' ' ' PHE . 43.4 ttm-85 -34.51 -35.23 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.17 -0.956 . . . . 0.0 109.445 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.681 ' HG1' ' N ' ' A' ' 69' ' ' GLY . 21.7 p -60.09 -43.08 95.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 109.467 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.681 ' N ' ' HG1' ' A' ' 68' ' ' THR . . . 32.38 84.13 0.01 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 63' ' ' CYS . 70.1 mmtt -121.81 158.62 28.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -1.112 . . . . 0.0 109.432 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.07 140.45 29.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -1.166 . . . . 0.0 109.534 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -141.96 151.69 42.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.64 153.41 40.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.0 109.484 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -106.27 117.43 57.32 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.45 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.42 -29.12 9.64 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.777 2.318 . . . . 0.0 112.238 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.07 -6.04 59.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.93 . . . . 0.0 109.455 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 17' ' ' TRP . 10.0 mp -121.18 149.3 51.32 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -40.3 146.08 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.827 2.351 . . . . 0.0 112.167 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.09 124.62 11.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.375 . . . . 0.0 112.25 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -32.36 4.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.478 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 30.8 m95 -60.17 135.67 57.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.268 -1.137 . . . . 0.0 109.45 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.57 154.17 46.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.858 . . . . 0.0 109.401 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -144.96 150.6 37.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.222 -0.923 . . . . 0.0 109.487 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -126.62 155.46 42.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.414 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -126.29 114.39 18.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -112.54 131.08 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.398 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.0 mt -102.9 135.92 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.898 . . . . 0.0 109.496 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.623 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -47.93 105.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.49 -179.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.72 -16.96 34.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 m -108.56 134.08 51.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 138.99 8.45 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.691 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.9 tp -70.08 -34.07 72.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.237 -1.155 . . . . 0.0 109.407 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ALA . 50.8 m -61.97 25.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.476 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.691 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.39 153.08 0.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.21 -21.68 5.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.04 133.28 33.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -1.117 . . . . 0.0 109.512 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.6 p -138.73 158.95 43.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 55.6 t0 -127.79 146.88 50.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 0.0 109.463 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 60.9 t -113.55 133.32 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 0.0 109.475 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -115.59 147.29 40.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.195 -0.941 . . . . 0.0 109.474 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -124.4 138.42 54.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.31 130.04 56.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.635 ' HG ' ' H ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -86.22 164.62 37.71 Favored Pre-proline 0 N--CA 1.489 1.484 0 O-C-N 121.3 -0.875 . . . . 0.0 109.451 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.65 -26.74 80.57 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.842 2.361 . . . . 0.0 112.206 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.635 ' H ' ' HG ' ' A' ' 39' ' ' SER . 79.7 p -72.91 -26.92 61.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.907 . . . . 0.0 109.491 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 1.19 26.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -72.38 141.35 48.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.217 -1.167 . . . . 0.0 109.523 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -98.67 141.09 31.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 36.6 m-85 -132.29 167.46 19.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.171 -0.956 . . . . 0.0 109.483 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.711 ' O ' ' CB ' ' A' ' 47' ' ' SER . 53.4 mtm180 -145.34 120.95 10.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.451 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 92.44 154.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.484 177.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.32 -41.37 41.72 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.935 . . . . 0.0 109.489 -177.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.5 Cg_exo -52.08 -33.6 54.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.765 2.31 . . . . 0.0 112.324 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.624 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.2 tm0? -77.53 -47.17 20.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.478 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tp -64.67 -43.72 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.531 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.64 74.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -37.2 86.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.278 -0.889 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -63.92 -48.05 78.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.548 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.7 -26.44 66.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 -132.2 26.95 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -106.64 35.0 3.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.244 -1.15 . . . . 0.0 109.424 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.8 -21.94 15.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.17 147.61 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.918 . . . . 0.0 109.41 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -105.65 120.35 41.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.452 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -102.35 16.59 25.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 t -61.55 -44.04 97.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.465 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.08 -31.42 62.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.891 . . . . 0.0 109.483 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -72.81 120.17 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.234 -0.916 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.2 t0 -98.33 109.75 22.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 109.551 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 29.6 p90 -64.81 -44.42 89.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.469 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 6.8 tpm_? -46.95 -42.24 17.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -109.33 -5.44 15.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 0.0 109.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 58.28 31.2 65.56 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -115.66 158.44 22.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 ttt . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.284 -0.885 . . . . 0.0 109.498 179.61 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.653 ' NH2' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -75.16 169.2 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -1.15 . . . . 0.0 109.504 -178.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' HH21 ' A' ' 7' ' ' ARG . 81.7 p -137.88 149.88 46.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.653 ' N ' ' NH2' ' A' ' 7' ' ' ARG . 22.2 t70 -71.44 146.03 48.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 0.0 109.437 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 t -121.84 116.97 30.02 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -70.26 -18.17 34.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.831 2.354 . . . . 0.0 112.262 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -77.18 -18.88 57.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 0.0 109.564 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 5.3 mp -117.59 148.78 43.68 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.43 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -41.74 153.91 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.786 2.324 . . . . 0.0 112.224 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -54.23 129.59 35.33 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.8 2.333 . . . . 0.0 112.215 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.02 -31.54 6.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.498 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 40.0 m95 -56.56 135.97 54.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -1.156 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -115.33 144.05 44.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' NZ ' ' HA3' ' A' ' 69' ' ' GLY . 68.5 tttt -126.92 136.32 52.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.496 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -131.76 143.89 50.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.389 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 8.4 tm-20 -126.84 124.21 39.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.528 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -120.05 133.69 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.404 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 23' ' ' ILE . 92.4 mt -100.47 136.56 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtt-85 -48.83 113.04 0.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 109.46 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -74.83 -2.42 26.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.503 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.727 ' O ' ' C ' ' A' ' 27' ' ' GLY . 4.2 p -81.22 -162.45 0.5 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.191 -0.943 . . . . 0.0 109.481 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.727 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -20.36 138.39 0.01 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.647 ' C ' ' H ' ' A' ' 30' ' ' ALA . 60.2 tp -64.14 -39.37 93.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -1.152 . . . . 0.0 109.448 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -59.66 6.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.484 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.647 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.18 -75.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 0.0 109.45 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.4 -11.84 2.08 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 30' ' ' ALA . 10.6 mmmt -85.78 129.13 34.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.284 -1.127 . . . . 0.0 109.442 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 65.8 m -127.51 150.92 49.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.547 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -120.4 139.39 52.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.423 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.405 HG11 ' HH ' ' A' ' 37' ' ' TYR . 35.4 t -112.43 132.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 109.488 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -115.23 139.83 49.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.915 . . . . 0.0 109.495 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CD1' ' CE2' ' A' ' 66' ' ' PHE . 81.2 m-85 -120.91 135.32 55.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 109.498 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -116.68 133.3 56.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.216 -0.927 . . . . 0.0 109.482 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.663 ' HG ' ' HG ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -105.7 166.05 12.01 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.278 -0.888 . . . . 0.0 109.424 179.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.2 Cg_endo -57.93 -18.22 34.18 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.852 2.368 . . . . 0.0 112.197 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.663 ' HG ' ' HG ' ' A' ' 39' ' ' SER . 81.9 p -76.79 -16.29 59.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.428 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.74 -3.25 77.87 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.04 137.67 43.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -1.173 . . . . 0.0 109.543 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -93.97 138.38 32.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 109.454 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 45.6 m-85 -121.31 130.35 53.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.296 -0.877 . . . . 0.0 109.472 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -107.73 -3.09 19.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.391 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -152.17 152.36 32.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.286 -0.884 . . . . 0.0 109.459 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 17.9 ttpp -57.44 -50.79 86.14 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.536 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 4.6 Cg_endo -46.44 -31.09 9.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.917 2.411 . . . . 0.0 112.264 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -72.04 -52.6 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.518 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -65.78 -45.45 82.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.891 . . . . 0.0 109.573 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.5 -47.12 39.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.561 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.614 ' HG2' HH11 ' A' ' 53' ' ' ARG . 32.6 mtt-85 -63.62 -37.37 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.645 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -63.5 -51.99 63.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.11 -28.27 68.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 -146.31 40.33 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -93.05 40.51 1.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -1.136 . . . . 0.0 109.493 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.53 -19.69 13.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.477 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.27 143.69 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 109.404 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 38.3 p-10 -103.45 119.07 38.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.528 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.88 15.72 26.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.5 m -61.71 -43.59 98.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.49 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.9 m -71.21 -29.3 64.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 109.499 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 60.9 t80 -87.31 122.65 31.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.953 . . . . 0.0 109.477 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 69' ' ' GLY . 90.3 m-20 -104.94 131.26 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.468 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.642 ' CE2' ' CD1' ' A' ' 37' ' ' TYR . 3.5 m-85 -69.5 -40.28 77.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -53.81 -44.19 69.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.473 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.1 p -101.08 -18.31 16.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.438 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 59.9 37.55 92.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -133.09 161.36 34.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.3 -1.118 . . . . 0.0 109.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.6 ttm . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 179.749 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.631 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.2 ptt-85 -82.55 158.71 23.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -1.167 . . . . 0.0 109.537 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -141.67 151.88 43.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 109.429 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 38.7 t70 -75.69 158.0 32.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.232 -0.917 . . . . 0.0 109.487 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.2 116.9 58.64 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.185 -0.947 . . . . 0.0 109.456 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -74.23 -31.22 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.83 2.353 . . . . 0.0 112.255 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.54 -7.75 59.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 0.0 109.546 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.67 153.72 50.69 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.42 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -41.65 156.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.864 2.376 . . . . 0.0 112.177 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.11 120.77 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.769 2.313 . . . . 0.0 112.193 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.69 5.65 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.467 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 47.0 m95 -60.76 135.74 57.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -1.156 . . . . 0.0 109.465 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.41 152.52 47.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 9' ' ' ASP . 25.6 pttm -136.73 145.41 44.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.231 -0.918 . . . . 0.0 109.469 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -124.72 153.79 41.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 109.428 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -127.12 114.25 17.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 109.53 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -107.85 130.12 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 109.525 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.2 mt -99.0 120.56 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 105.14 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.355 -0.841 . . . . 0.0 109.453 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -100.09 -8.28 23.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.357 -0.84 . . . . 0.0 109.52 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -89.52 129.57 35.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.532 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 154.37 26.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.726 ' C ' ' H ' ' A' ' 30' ' ' ALA . 3.1 tm? -64.07 -38.9 92.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -1.164 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -61.74 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.892 . . . . 0.0 109.465 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.726 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.06 142.46 16.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.83 -23.61 4.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -76.06 137.71 40.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.153 . . . . 0.0 109.449 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.584 ' CB ' HH22 ' A' ' 67' ' ' ARG . 61.2 p -135.36 156.29 49.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.465 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -130.76 152.22 50.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.331 -0.856 . . . . 0.0 109.434 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.89 131.72 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -115.27 150.35 36.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.917 . . . . 0.0 109.412 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -125.38 139.37 53.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -122.17 136.87 54.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.261 -0.9 . . . . 0.0 109.535 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.3 p -104.31 171.48 5.0 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 0.0 109.444 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.55 -23.35 64.42 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.526 ' HG ' ' H ' ' A' ' 43' ' ' LYS . 84.2 p -73.08 -2.08 19.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.538 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.56 0.42 54.02 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.526 ' H ' ' HG ' ' A' ' 41' ' ' SER . 32.9 ttpt -73.88 142.72 46.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.287 -1.125 . . . . 0.0 109.551 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -91.05 138.59 31.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 57.0 m-85 -123.54 154.02 39.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 47' ' ' SER . 61.9 mtm180 -139.36 113.3 8.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.483 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.724 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 6.0 p 93.36 154.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.894 . . . . 0.0 109.461 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 26.2 tttt -61.74 -43.56 88.17 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.443 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 53.3 Cg_exo -48.53 -38.56 35.86 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.893 2.396 . . . . 0.0 112.275 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.629 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 34.8 tp60 -72.4 -51.31 20.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.5 tp -63.94 -43.24 96.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.86 65.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.184 -0.947 . . . . 0.0 109.609 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.629 ' NH2' ' NE2' ' A' ' 50' ' ' GLN . 48.8 mtm-85 -62.26 -36.52 82.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.316 -0.865 . . . . 0.0 109.586 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.76 -51.41 62.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.85 -26.13 68.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.08 -137.09 35.54 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -107.27 35.59 3.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.63 -22.23 18.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.92 152.96 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -99.76 116.43 31.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.39 12.29 31.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -60.07 -43.08 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.32 13.64 5.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.51 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -112.13 125.15 53.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -80.39 -172.28 3.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.0 109.427 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 47' ' ' SER . 61.5 t80 -132.01 -56.12 0.98 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.524 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.63 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -59.85 -44.76 93.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 69' ' ' GLY . 24.5 p -101.76 1.09 36.91 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.287 -0.883 . . . . 0.0 109.479 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 35.33 78.25 0.04 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -145.65 167.78 22.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -1.089 . . . . 0.0 109.536 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.494 179.589 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.32 168.39 20.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -1.127 . . . . 0.0 109.507 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 p -141.11 150.24 42.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.883 . . . . 0.0 109.449 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -82.64 154.09 25.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.436 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 131.16 21.94 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.428 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -72.71 -24.53 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.86 2.374 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.08 -41.52 11.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.475 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.626 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 2.9 mm? -73.13 143.42 83.58 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.46 152.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.194 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -50.53 123.25 11.0 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.86 2.374 . . . . 0.0 112.198 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.82 -30.7 6.71 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 21.6 m95 -60.67 136.62 58.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -1.18 . . . . 0.0 109.462 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.58 152.09 42.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -135.2 144.16 46.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.476 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -132.02 148.94 52.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.443 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.9 122.83 35.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -113.34 130.83 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -101.09 132.14 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.205 -0.934 . . . . 0.0 109.45 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.04 106.93 0.22 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.536 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -91.61 -12.37 34.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.427 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -102.32 131.53 48.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.43 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.71 143.04 11.02 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.3 tp -70.26 -33.19 71.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -1.114 . . . . 0.0 109.487 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 30' ' ' ALA . 5.8 t -61.81 25.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.237 -0.914 . . . . 0.0 109.443 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.718 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.42 149.65 0.11 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.0 109.5 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.12 -21.2 5.54 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -80.67 125.84 30.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 0.0 109.492 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 m -132.1 154.69 49.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -0.918 . . . . 0.0 109.524 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -126.86 147.17 50.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 t -105.9 130.18 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.261 -0.899 . . . . 0.0 109.566 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -115.55 140.55 49.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 109.394 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -123.45 139.07 54.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -114.39 131.05 56.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.473 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.597 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -99.67 165.54 14.49 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 18.8 Cg_endo -59.06 -19.6 49.56 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.807 2.338 . . . . 0.0 112.227 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -5.18 54.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 0.0 109.459 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.04 88.44 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.39 138.51 36.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.145 . . . . 0.0 109.49 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -99.58 147.1 25.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 0.0 109.419 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.58 156.37 34.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.549 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 64.2 mtm180 -132.63 109.35 9.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.431 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.1 p 91.35 158.79 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.937 . . . . 0.0 109.449 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.7 ttmt -62.32 -44.85 89.46 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.484 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.0 Cg_exo -48.43 -35.38 28.07 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.896 2.397 . . . . 0.0 112.262 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -78.46 -51.12 10.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.2 -43.33 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.557 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.19 -45.87 75.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.532 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -60.49 -33.55 72.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.556 -179.595 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.43 -51.63 62.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.2 mt -73.09 -34.18 66.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.591 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.78 -171.02 54.54 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' VAL . 5.5 m120 -63.15 -22.57 66.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 0.0 109.436 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.3 -22.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.494 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.0 t -140.32 140.08 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.07 117.51 34.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.248 -0.908 . . . . 0.0 109.485 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.56 16.56 21.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.44 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -58.56 -44.02 89.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.49 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 70.2 m -86.19 11.35 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.928 . . . . 0.0 109.5 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -113.28 113.28 25.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -100.89 108.21 19.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.447 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CZ ' ' NH1' ' A' ' 67' ' ' ARG . 8.2 p90 -61.91 -34.56 76.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 109.401 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.754 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.7 mmt-85 -35.4 -47.81 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.173 -0.954 . . . . 0.0 109.511 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -124.38 12.3 8.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.912 . . . . 0.0 109.495 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.95 41.71 52.71 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.36 152.64 27.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.236 -1.155 . . . . 0.0 109.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttm . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.486 179.578 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.737 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -81.91 164.61 21.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.295 -1.121 . . . . 0.0 109.552 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.3 p -137.21 147.6 45.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.209 -0.932 . . . . 0.0 109.449 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.41 153.32 38.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.557 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.89 129.52 90.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.317 -0.864 . . . . 0.0 109.467 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.64 -49.97 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.244 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 -28.45 8.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -0.929 . . . . 0.0 109.477 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.15 148.66 95.99 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -41.2 147.3 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.84 2.36 . . . . 0.0 112.164 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 127.32 23.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.814 2.343 . . . . 0.0 112.219 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.46 -35.23 3.81 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.414 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 71.7 m95 -62.52 138.9 58.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.414 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.25 148.88 47.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.432 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -118.58 134.19 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -127.18 148.95 50.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.893 . . . . 0.0 109.477 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.22 118.46 21.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.0 109.476 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -115.18 133.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.48 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -100.78 129.46 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 109.476 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -55.53 114.35 1.81 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.472 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.49 -16.76 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.279 -0.888 . . . . 0.0 109.511 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -102.55 130.9 49.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.9 141.84 9.98 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.1 tp -61.12 -15.77 36.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.188 -1.184 . . . . 0.0 109.48 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -72.43 23.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.501 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -46.6 129.91 11.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.19 -0.944 . . . . 0.0 109.403 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.48 -23.89 5.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 134.29 39.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -1.148 . . . . 0.0 109.439 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 15.3 t -133.45 154.8 50.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -126.89 146.97 50.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' NH2' ' A' ' 67' ' ' ARG . 2.6 t -108.12 129.39 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.24 -0.913 . . . . 0.0 109.508 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -114.68 148.04 38.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.431 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -117.44 130.11 56.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.189 -0.945 . . . . 0.0 109.468 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.39 133.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.414 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -107.75 171.57 4.49 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.916 . . . . 0.0 109.497 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.59 -20.21 8.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.314 . . . . 0.0 112.23 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.1 p -78.54 -0.88 31.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.477 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.29 3.12 36.95 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -75.8 144.83 41.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -1.187 . . . . 0.0 109.557 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.54 140.02 29.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 109.418 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -125.67 146.52 49.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 47' ' ' SER . 4.8 ptm180 -149.24 68.59 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.417 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 157.61 118.08 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.479 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 24.3 ttpt -51.1 -43.06 84.02 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 109.553 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 32.5 Cg_exo -57.68 -30.15 87.9 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.867 2.378 . . . . 0.0 112.314 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -74.37 -53.96 8.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 109.569 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.66 -44.37 96.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.99 61.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.233 -0.917 . . . . 0.0 109.567 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.93 -34.11 77.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.891 . . . . 0.0 109.581 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.54 -51.93 63.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.918 . . . . 0.0 109.57 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -21.7 66.12 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 109.606 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.4 -132.73 35.65 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -105.07 33.33 3.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 109.463 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.17 -23.75 16.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.481 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -144.3 147.33 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.487 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -98.67 115.91 29.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.0 109.485 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.3 mp -105.0 12.6 32.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.451 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.7 m -63.5 -43.89 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 0.0 109.433 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.17 -33.99 74.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.204 -0.935 . . . . 0.0 109.432 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.57 125.83 27.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.238 -0.914 . . . . 0.0 109.494 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -79.01 -159.49 0.19 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 109.457 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -135.14 -53.68 0.79 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.445 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NH1' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -68.89 -39.16 79.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 109.488 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.4 p -97.74 -12.48 22.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.96 44.55 32.13 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -117.5 157.54 26.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -1.129 . . . . 0.0 109.415 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.476 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -86.6 136.77 32.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -1.136 . . . . 0.0 109.509 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.4 p -141.93 152.2 43.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.236 -0.915 . . . . 0.0 109.406 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 53.5 p30 -75.99 157.68 32.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.442 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 13' ' ' LEU . 4.3 t -114.4 116.95 43.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.951 . . . . 0.0 109.423 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -72.31 -23.51 20.66 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.84 2.36 . . . . 0.0 112.231 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.19 -10.62 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' CD1' ' SG ' ' A' ' 10' ' ' CYS . 5.4 mp -121.35 147.65 47.82 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 109.475 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -41.04 151.12 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.847 2.365 . . . . 0.0 112.139 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.8 125.62 14.78 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.856 2.37 . . . . 0.0 112.253 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.15 -32.19 4.64 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -60.44 133.54 56.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -1.104 . . . . 0.0 109.408 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -130.37 156.27 45.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 0.0 109.471 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HZ2' ' HH ' ' A' ' 37' ' ' TYR . 17.3 ptmt -148.27 152.57 37.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.0 109.484 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -126.69 158.07 37.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -127.32 115.31 18.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.59 131.8 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -102.94 133.01 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 0.0 109.418 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -61.41 107.25 0.75 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -94.82 -8.03 38.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.0 109.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -97.66 130.64 44.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.495 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 146.57 16.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.728 ' C ' ' H ' ' A' ' 30' ' ' ALA . 62.5 tp -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -1.18 . . . . 0.0 109.448 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.0 m -61.32 25.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.728 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.12 147.32 0.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.516 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.44 -21.75 5.37 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.06 125.44 30.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 0.0 109.51 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -132.05 154.29 49.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.926 . . . . 0.0 109.514 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 65.8 t0 -127.26 146.69 50.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.555 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 75.6 t -113.24 132.39 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 0.0 109.523 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.79 145.76 40.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HH ' ' HZ2' ' A' ' 19' ' ' LYS . 97.3 m-85 -120.62 134.08 55.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.502 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -113.12 129.45 56.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.923 . . . . 0.0 109.528 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.68 161.57 26.16 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.457 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.16 -18.61 30.22 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.845 2.363 . . . . 0.0 112.244 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -81.37 -8.0 59.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.413 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 -2.14 81.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.11 137.71 40.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -1.149 . . . . 0.0 109.459 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.28 142.88 29.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.531 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.2 163.8 25.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 mtm180 -142.47 119.21 11.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 0.0 109.458 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.74 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.5 m 94.7 154.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.0 109.493 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.862 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -60.8 -48.01 94.14 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.529 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.862 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.9 Cg_endo -53.66 -29.91 53.25 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.79 2.327 . . . . 0.0 112.322 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.443 ' HG2' ' H ' ' A' ' 46' ' ' ARG . 9.6 tp-100 -76.04 -53.03 8.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.447 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.526 ' C ' ' CD2' ' A' ' 51' ' ' LEU . 6.8 tt -64.81 -44.75 88.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.67 76.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.578 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG3' HH11 ' A' ' 53' ' ' ARG . 52.0 ttm-85 -62.41 -36.25 81.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 109.672 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.84 -47.25 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.555 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -75.39 -31.4 60.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.875 . . . . 0.0 109.625 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.16 -173.62 48.29 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' VAL . 83.3 m-20 -64.48 -23.73 67.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.98 -24.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.892 . . . . 0.0 109.406 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.1 t -140.57 140.41 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -107.41 120.66 42.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.547 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 61' ' ' LEU . 5.3 mp -103.19 23.17 12.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 0.0 109.473 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.5 p -60.77 -35.71 77.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.453 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.7 t -82.05 10.9 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.421 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 65' ' ' ASP . 88.2 t80 -128.51 129.2 45.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.491 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 38.9 t0 -80.04 -149.47 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.728 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 33.0 p90 -157.71 -56.54 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.462 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.728 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 14.7 ptm180 -54.05 -32.51 54.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 109.448 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -108.88 -36.96 5.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.865 . . . . 0.0 109.458 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.22 64.23 1.67 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -138.41 158.81 43.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.289 -1.124 . . . . 0.0 109.434 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.61 170.06 16.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 109.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -141.09 149.85 42.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.449 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.98 150.44 40.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.484 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 126.51 30.59 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 109.448 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.16 -31.16 7.99 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.803 2.336 . . . . 0.0 112.204 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.65 57.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -110.56 144.61 30.57 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.427 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -41.66 159.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.809 2.339 . . . . 0.0 112.155 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.57 125.39 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.862 2.375 . . . . 0.0 112.246 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.63 -31.26 6.23 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.634 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 52.7 m95 -59.51 137.48 58.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.0 150.38 44.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.437 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -131.75 141.29 49.47 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -127.62 149.46 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.393 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -126.71 116.52 21.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.16 -0.963 . . . . 0.0 109.503 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.5 t -115.15 131.78 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.414 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.26 133.71 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.179 -0.951 . . . . 0.0 109.526 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -64.11 110.89 2.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 109.434 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -95.9 -6.19 39.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.408 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 30.8 t -98.16 129.53 44.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 0.0 109.494 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.76 16.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.736 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.8 tp -69.02 -32.37 71.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -1.153 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 30' ' ' ALA . 90.6 p -60.77 24.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.736 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.27 145.26 0.25 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.224 -0.922 . . . . 0.0 109.552 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.51 -20.84 5.48 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.66 128.8 34.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -1.14 . . . . 0.0 109.495 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.6 p -131.56 153.43 49.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -124.4 143.66 50.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.279 -0.888 . . . . 0.0 109.394 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' HH ' ' A' ' 37' ' ' TYR . 75.1 t -111.1 132.5 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -117.52 144.44 45.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.283 -0.886 . . . . 0.0 109.424 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HH ' HG13 ' A' ' 35' ' ' VAL . 85.8 m-85 -118.35 132.3 56.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -119.64 134.45 55.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.533 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.634 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -115.46 171.43 4.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.421 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.41 -33.61 57.5 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.839 2.359 . . . . 0.0 112.212 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -60.4 -16.6 37.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.81 -2.75 85.7 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 87.6 tttt -76.51 142.81 40.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -1.125 . . . . 0.0 109.496 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -90.13 137.6 32.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 74.7 m-85 -123.93 151.03 44.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 109.459 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.7 mtm180 -136.53 110.08 8.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 92.42 162.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.882 . . . . 0.0 109.494 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.53 -42.51 20.06 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 109.458 -178.092 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.7 Cg_exo -48.0 -39.34 32.78 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.879 2.386 . . . . 0.0 112.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 41.0 tt0 -78.93 -56.27 4.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.19 -19.47 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 0.0 109.552 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -76.22 -43.74 40.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.616 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.6 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 59.0 mtm-85 -61.11 -34.35 74.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.638 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -65.8 -52.48 50.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.68 -29.92 71.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.164 -0.96 . . . . 0.0 109.573 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.47 -139.64 37.73 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -100.1 34.46 2.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -1.177 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.86 -21.04 17.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.476 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -146.7 152.24 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.0 109.419 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -104.72 119.75 39.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.169 -0.957 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 61' ' ' LEU . 9.5 mp -106.71 17.66 22.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 109.466 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -58.92 -41.74 88.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 109.499 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -87.16 30.26 0.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.95 121.39 44.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.33 167.77 20.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.5 m-85 -100.01 -55.8 2.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.712 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -76.77 -39.25 52.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 70' ' ' LYS . 30.7 p -93.98 -9.11 38.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 39.01 24.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 68' ' ' THR . 19.9 ttmt -94.46 167.63 11.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -1.156 . . . . 0.0 109.507 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.485 179.703 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -88.49 142.1 27.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -1.105 . . . . 0.0 109.523 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -141.79 154.62 45.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.78 152.43 42.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.136 -0.978 . . . . 0.0 109.439 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.0 121.21 48.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 0.0 109.463 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.86 -30.43 11.3 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.917 2.412 . . . . 0.0 112.267 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.93 -12.59 58.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 9.5 mp -114.27 150.64 44.04 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 109.535 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.88 154.9 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 112.21 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -54.24 126.33 21.79 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.831 2.354 . . . . 0.0 112.268 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.83 -31.46 5.52 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CH2' ' CD2' ' A' ' 51' ' ' LEU . 51.5 m95 -59.88 139.25 57.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -1.149 . . . . 0.0 109.436 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.5 154.52 45.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HZ3' ' C ' ' A' ' 69' ' ' GLY . 14.6 ptpt -138.11 147.08 43.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -132.89 152.58 51.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -128.12 121.73 30.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.84 134.38 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.447 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -101.62 144.15 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -58.75 114.47 2.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.506 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -1.58 24.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.922 . . . . 0.0 109.457 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.806 ' O ' ' O ' ' A' ' 27' ' ' GLY . 4.1 t -80.02 -162.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.28 -0.887 . . . . 0.0 109.495 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' A' ' 26' ' ' SER . . . -16.91 138.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -175.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.735 ' C ' ' H ' ' A' ' 30' ' ' ALA . 56.2 tp -63.81 -37.87 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.225 -1.162 . . . . 0.0 109.446 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -55.78 9.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.26 -0.9 . . . . 0.0 109.433 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.735 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.5 -80.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.257 -0.902 . . . . 0.0 109.493 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 -17.01 0.21 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.625 ' H ' ' C ' ' A' ' 30' ' ' ALA . 98.4 mttt -81.34 130.28 34.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -1.149 . . . . 0.0 109.51 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.2 p -123.11 147.49 46.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.0 109.473 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.57 134.81 54.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.885 . . . . 0.0 109.455 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.03 130.48 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.44 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -116.41 144.62 44.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 109.441 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -117.3 129.85 56.16 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 109.501 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.89 128.84 55.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.152 -0.968 . . . . 0.0 109.503 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -112.33 167.72 8.73 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.405 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 17.2 Cg_endo -56.8 -20.43 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.859 2.373 . . . . 0.0 112.18 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.2 -17.29 61.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.424 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.26 -2.45 88.15 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.35 141.48 36.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.514 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -88.84 138.29 31.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.462 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -126.54 155.37 42.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' SER . 1.5 ptm180 -160.57 78.98 0.64 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 158.45 117.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.47 -179.234 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.703 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.7 tttp -43.31 -54.72 9.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.512 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.703 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 15.6 Cg_endo -56.75 -23.71 51.34 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.861 2.374 . . . . 0.0 112.275 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -73.38 -51.79 16.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 109.592 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' ' CH2' ' A' ' 17' ' ' TRP . 20.8 mt -64.03 -44.65 91.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 0.0 109.521 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.13 -41.55 60.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.582 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' A' ' 53' ' ' ARG . 2.0 ttt-85 -66.51 -38.7 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.71 -52.32 61.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.497 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.47 -23.01 67.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.557 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.81 -135.38 35.31 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.94 33.87 2.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -1.155 . . . . 0.0 109.535 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.52 -22.89 13.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.399 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.85 142.99 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.302 -0.874 . . . . 0.0 109.493 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -101.72 118.92 37.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.488 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.3 mt -107.1 18.6 21.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.487 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.86 31.97 0.61 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.432 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -110.18 123.76 50.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.0 109.449 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.43 -179.4 7.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.47 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -118.2 -55.54 2.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -52.1 -44.44 64.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.403 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.605 ' O ' ' C ' ' A' ' 69' ' ' GLY . 67.8 p -113.37 10.72 18.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.45 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 30.42 47.26 0.13 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' THR . 8.9 tptp -104.12 170.52 7.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -1.175 . . . . 0.0 109.463 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.405 ' H ' ' HG3' ' A' ' 70' ' ' LYS . 32.4 tpp . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 109.442 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -75.16 155.54 36.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -1.136 . . . . 0.0 109.558 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -140.88 146.01 36.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.152 -0.968 . . . . 0.0 109.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -76.41 160.29 29.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.56 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -107.94 114.83 59.58 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 109.458 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.32 -30.64 93.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.8 2.334 . . . . 0.0 112.219 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.488 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -81.84 -13.5 57.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' CE3' ' A' ' 17' ' ' TRP . 10.8 mp -113.34 154.29 45.39 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.0 109.472 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.68 156.18 19.46 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.864 2.376 . . . . 0.0 112.191 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.55 125.73 14.62 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.841 2.36 . . . . 0.0 112.228 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.48 -33.02 4.29 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.631 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 37.1 m95 -63.61 133.48 53.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.26 -1.141 . . . . 0.0 109.483 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -137.4 160.93 37.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.513 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -148.86 154.91 40.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 6' ' ' GLY . 52.8 tp10 -140.12 138.41 35.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -102.33 127.05 49.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.219 -0.926 . . . . 0.0 109.544 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.0 133.45 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.311 -0.868 . . . . 0.0 109.411 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 97.2 mt -103.31 141.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.456 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' ILE . 21.8 mmt180 -42.51 119.83 1.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 0.0 109.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -32.94 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.489 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 m -128.19 153.74 46.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.513 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 142.48 9.23 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.685 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.7 tp -65.04 -32.39 74.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -1.14 . . . . 0.0 109.529 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -62.81 24.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.925 . . . . 0.0 109.496 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.685 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.72 133.86 20.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 109.472 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.62 -24.61 4.88 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -69.25 126.09 28.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.233 -1.157 . . . . 0.0 109.412 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 3.7 p -119.78 146.0 46.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -176.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -125.98 143.69 50.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.26 -0.9 . . . . 0.0 109.395 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CE1' ' A' ' 37' ' ' TYR . 85.0 t -106.64 129.13 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 0.0 109.576 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.78 146.8 36.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.619 ' HH ' ' C ' ' A' ' 66' ' ' PHE . 7.9 m-85 -122.1 135.82 54.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 109.442 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.86 135.02 55.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.501 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.631 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -95.93 166.41 14.49 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 20.4 Cg_endo -60.57 -15.81 38.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.817 2.345 . . . . 0.0 112.246 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.5 p -81.06 -6.03 58.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.35 -4.11 85.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.91 142.88 39.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -1.145 . . . . 0.0 109.517 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -98.14 146.31 25.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.73 167.91 20.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.2 ttp180 -163.06 83.64 0.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.935 . . . . 0.0 109.443 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 155.95 124.29 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.333 -0.854 . . . . 0.0 109.449 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.787 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -49.54 -49.29 72.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.902 . . . . 0.0 109.479 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.787 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 24.5 Cg_endo -61.74 -24.54 77.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.827 2.351 . . . . 0.0 112.262 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.55 -49.86 36.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.917 . . . . 0.0 109.56 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 10.8 mp -65.64 -42.08 91.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 0.0 109.553 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.54 -44.41 65.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.307 -0.871 . . . . 0.0 109.546 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.695 ' HG2' HH11 ' A' ' 53' ' ' ARG . 18.7 mtt-85 -67.11 -35.64 80.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.887 . . . . 0.0 109.583 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.36 -50.93 61.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -0.894 . . . . 0.0 109.506 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.71 -24.91 62.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.913 . . . . 0.0 109.615 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.11 -132.9 31.0 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ALA . 97.2 m-20 -96.73 -22.04 17.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -1.134 . . . . 0.0 109.45 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -43.97 -28.7 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -0.938 . . . . 0.0 109.482 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -142.19 142.91 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.0 109.475 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 45.2 p-10 -105.46 120.12 40.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.498 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mp -106.24 17.85 22.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 m -63.64 -43.37 96.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.278 -0.889 . . . . 0.0 109.441 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.8 m -71.58 -34.53 70.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.0 109.49 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 62.6 t80 -79.57 129.3 34.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.213 -0.93 . . . . 0.0 109.456 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 22.9 t0 -80.17 -141.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.31 -0.869 . . . . 0.0 109.431 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.619 ' C ' ' HH ' ' A' ' 37' ' ' TYR . 5.2 p90 -154.47 -49.06 0.09 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.483 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 10.1 mmm180 -65.86 -45.12 83.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 0.0 109.458 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -106.13 -9.84 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.184 -0.948 . . . . 0.0 109.434 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.92 72.77 0.49 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -134.93 147.69 49.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -1.123 . . . . 0.0 109.437 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.704 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.586 ' NH2' ' OD1' ' A' ' 9' ' ' ASP . 2.0 tmt_? -87.19 140.36 29.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.538 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -142.13 154.0 44.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.879 . . . . 0.0 109.434 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.586 ' OD1' ' NH2' ' A' ' 7' ' ' ARG . 95.6 m-20 -72.09 155.02 40.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -113.97 125.38 29.48 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.224 -0.923 . . . . 0.0 109.512 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.58 -22.86 20.49 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.924 2.416 . . . . 0.0 112.245 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.1 -25.15 32.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 mt -100.99 147.25 33.45 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 109.521 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 17' ' ' TRP . 9.8 Cg_endo -53.94 165.33 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.896 2.397 . . . . 0.0 112.137 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.59 124.24 15.36 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.832 2.355 . . . . 0.0 112.215 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.17 -32.37 4.76 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.424 ' CD1' ' HG2' ' A' ' 14' ' ' PRO . 45.1 m95 -61.37 138.32 58.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -1.161 . . . . 0.0 109.416 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -120.38 144.63 47.79 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.267 -0.896 . . . . 0.0 109.459 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.93 139.26 47.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 11.3 tm-20 -129.77 155.28 46.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.453 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 83.0 tt0 -125.78 117.13 22.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 0.0 109.489 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.4 t -106.95 129.98 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.157 -0.965 . . . . 0.0 109.478 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 HD12 HG22 ' A' ' 23' ' ' ILE . 86.0 mt -103.63 133.1 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -63.42 105.24 0.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -91.94 -7.12 49.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -0.883 . . . . 0.0 109.452 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -97.78 131.14 44.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.84 144.76 13.19 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.737 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -72.1 -43.88 64.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.111 . . . . 0.0 109.497 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 30' ' ' ALA . 50.2 m -61.43 25.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.471 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.737 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.85 164.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 0.0 109.458 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.85 -21.04 5.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 124.6 29.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -1.159 . . . . 0.0 109.462 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -128.64 151.58 49.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 0.0 109.54 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -126.47 144.68 50.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.908 . . . . 0.0 109.44 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -106.49 130.85 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.228 -0.92 . . . . 0.0 109.519 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -112.41 141.13 46.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -120.04 132.47 55.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.473 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -118.32 133.55 55.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.455 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.442 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -105.75 166.53 11.16 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 0.0 109.506 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 12.8 Cg_endo -55.2 -12.1 4.96 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.829 2.352 . . . . 0.0 112.273 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.0 p -83.72 -5.39 59.18 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.466 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.92 0.01 67.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -77.12 143.16 39.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -1.111 . . . . 0.0 109.508 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -88.67 139.0 30.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.302 -0.874 . . . . 0.0 109.427 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 51' ' ' LEU . 56.0 m-85 -125.8 150.56 47.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.4 ttp180 -158.36 73.0 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 158.79 120.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.791 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -50.4 -49.81 75.01 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.517 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 17.5 Cg_endo -57.86 -26.11 72.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.877 2.385 . . . . 0.0 112.256 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -74.6 -50.87 16.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.575 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 45' ' ' PHE . 80.8 mt -65.65 -42.58 91.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.04 -44.78 67.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.283 -0.886 . . . . 0.0 109.594 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' A' ' 53' ' ' ARG . 59.6 ttt-85 -67.61 -35.25 78.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.639 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.33 -53.45 43.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.39 -22.06 65.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 109.55 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -171.7 27.34 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' VAL . 47.8 p-10 -64.35 -23.19 67.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -1.128 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . . . -41.29 -25.34 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' ASN . 19.8 t -143.27 144.37 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 109.469 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.523 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 46.5 p-10 -101.51 117.85 35.75 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 0.0 109.473 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.63 12.21 37.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.6 m -60.07 -43.95 95.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.864 . . . . 0.0 109.479 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.6 m -75.37 -30.71 60.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 109.486 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -60.81 130.08 44.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.479 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 53.8 t0 -90.59 167.62 12.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.276 -0.89 . . . . 0.0 109.48 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 62.9 t80 -110.97 -56.6 2.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -55.58 -42.34 74.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 109.449 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.468 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 71.2 p -97.16 -38.36 9.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.474 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.7 32.3 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -113.77 172.0 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.201 -1.176 . . . . 0.0 109.452 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ttm . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.444 -179.651 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -103.05 115.35 30.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.872 . . . . 0.0 109.483 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.567 ' C ' ' H ' ' A' ' 7' ' ' ARG . 10.9 pt20 -177.93 -166.07 0.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.504 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.05 -36.67 0.3 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.567 ' H ' ' C ' ' A' ' 5' ' ' GLN . 86.0 mtm180 -87.6 150.6 23.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -1.203 . . . . 0.0 109.506 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.8 p -142.03 152.65 43.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 0.0 109.445 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -78.22 159.32 28.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 109.451 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.56 123.04 63.09 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.537 179.012 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.38 -31.49 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.264 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.97 -41.22 5.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.263 -0.898 . . . . 0.0 109.499 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 6.3 mp -71.83 154.58 92.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.534 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -38.32 135.63 0.66 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.819 2.346 . . . . 0.0 112.186 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.59 131.84 29.19 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 0.0 112.258 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.76 -33.22 5.46 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.66 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 12.9 m95 -55.54 133.43 50.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -1.191 . . . . 0.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -121.65 146.69 46.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -138.08 144.89 41.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.47 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -127.35 156.11 42.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.221 -0.924 . . . . 0.0 109.453 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -127.79 113.02 15.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 109.552 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.51 131.52 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.91 . . . . 0.0 109.414 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.2 mt -102.1 128.95 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 0.0 109.472 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -55.71 106.86 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.358 -0.838 . . . . 0.0 109.452 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -92.73 -11.02 35.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.0 109.487 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -99.0 130.43 45.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.335 -0.853 . . . . 0.0 109.432 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 143.24 11.33 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.703 ' C ' ' H ' ' A' ' 30' ' ' ALA . 9.0 tp -67.66 -31.36 71.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -1.185 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' ALA . 32.6 p -62.85 25.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.875 . . . . 0.0 109.492 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.703 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -45.02 147.17 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 0.0 109.46 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.06 -22.88 5.33 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.708 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 83.8 tttt -78.75 128.57 33.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -1.15 . . . . 0.0 109.459 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -132.54 154.2 50.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -128.34 148.12 50.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.2 131.77 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -115.21 148.53 38.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 0.0 109.442 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -126.48 139.55 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.435 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.503 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 84.7 m-85 -115.65 133.23 56.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.53 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.66 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -86.22 164.23 39.32 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.0 109.454 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.24 -26.42 81.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.892 2.394 . . . . 0.0 112.204 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -28.19 62.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.468 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.57 0.79 23.23 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -72.62 140.57 48.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -1.169 . . . . 0.0 109.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -96.74 140.13 31.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -0.955 . . . . 0.0 109.427 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.69 165.6 21.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.514 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.71 ' O ' ' CB ' ' A' ' 47' ' ' SER . 23.5 mtm180 -142.44 120.47 12.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.0 109.423 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.71 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.9 t 92.77 154.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.885 . . . . 0.0 109.393 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 36.5 tttt -63.11 -43.64 81.96 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 0.0 109.536 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.8 Cg_exo -50.44 -32.06 32.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.889 2.393 . . . . 0.0 112.369 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.55 -46.92 18.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 52.6 tp -65.8 -43.03 89.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 0.0 109.483 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.76 82.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.543 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.677 ' HG2' HH11 ' A' ' 53' ' ' ARG . 17.5 mtt-85 -60.98 -35.81 77.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.608 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.13 -46.23 81.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.49 -28.01 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.27 -133.49 28.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -106.89 35.72 2.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -1.162 . . . . 0.0 109.477 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.63 -21.38 17.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.432 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.8 t -148.4 152.59 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.459 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -105.67 120.51 41.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 0.0 109.413 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 11.0 mp -98.97 17.76 18.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.435 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.84 -43.64 90.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.9 m -89.15 8.27 30.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -102.9 115.62 30.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -0.875 . . . . 0.0 109.449 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 69' ' ' GLY . 64.5 t0 -93.72 103.39 15.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.484 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' C ' ' A' ' 67' ' ' ARG . 26.2 p90 -64.38 -43.56 94.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.249 -0.907 . . . . 0.0 109.468 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.595 HH11 ' HG3' ' A' ' 67' ' ' ARG . 30.4 mmm-85 -36.64 -48.28 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -106.35 -24.87 12.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.0 109.408 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 83.19 40.9 8.85 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -122.79 165.49 16.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.511 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.6 ttm -114.69 137.37 51.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.474 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.761 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.493 5.608 1 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.48 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.353 1 C4'-C3'-C2' 110.942 7.742 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.525 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.487 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.487 5.136 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.41 ' H73' HH11 ' A' ' 46' ' ' ARG . . . . . . . . 1 O4'--C1' 1.491 5.448 1 C4'-C3'-C2' 110.963 7.763 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.445 ' C2 ' ' N2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.767 1 C4'-C3'-C2' 110.911 7.711 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.422 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.76 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.422 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.412 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.555 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.133 1 C4'-C3'-C2' 110.583 7.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.622 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.917 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.532 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.439 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.483 4.851 1 C4'-C3'-C2' 110.905 7.705 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.708 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.75 1 C4'-C3'-C2' 110.953 7.753 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.445 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.822 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.331 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.525 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 6.003 2 C4'-C3'-C2' 110.992 7.792 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.588 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.798 1 C4'-C3'-C2' 110.957 7.757 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.639 1 C4'-C3'-C2' 110.57 7.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' O ' ' A' ' 5' ' ' GLN . 53.8 mtpt -62.72 -85.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.263 -0.898 . . . . 0.0 109.479 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.533 ' O ' ' O ' ' A' ' 4' ' ' LYS . 28.2 mp0 41.13 96.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.448 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.47 -68.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -88.72 150.22 23.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -1.132 . . . . 0.0 109.504 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -141.22 153.49 45.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.595 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 51.7 t0 -84.91 165.14 17.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.255 -0.903 . . . . 0.0 109.525 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.595 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -118.27 122.14 30.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 178.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.96 -15.64 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.353 . . . . 0.0 112.248 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.552 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -98.52 -41.95 7.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 9.6 mp -77.41 150.31 79.65 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.428 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -41.15 136.64 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.82 2.346 . . . . 0.0 112.151 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -48.39 125.37 12.1 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.819 2.346 . . . . 0.0 112.187 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.17 -32.03 4.69 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 35.2 m95 -58.51 133.03 55.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -1.122 . . . . 0.0 109.476 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -119.86 144.94 47.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 69' ' ' GLY . 32.2 mtpt -133.18 139.41 47.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.534 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -124.38 153.35 42.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.415 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -127.27 115.94 19.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.91 . . . . 0.0 109.527 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.81 131.98 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 109.46 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.3 mt -102.89 133.24 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.0 109.466 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 HH21 H5A1 ' B' ' 105' ' ' 5CM . 39.2 mtt180 -59.56 107.39 0.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.49 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -10.03 36.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -98.42 130.78 45.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.73 144.91 13.39 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.719 ' C ' ' H ' ' A' ' 30' ' ' ALA . 45.4 tp -68.41 -32.91 73.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 0.0 109.405 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' ALA . 81.0 p -61.75 25.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.508 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.719 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.0 148.5 0.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.09 -22.72 5.34 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 88.5 tttt -79.74 130.22 35.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 109.471 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 p -134.57 155.13 50.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.568 ' OD2' ' CZ ' ' A' ' 36' ' ' TYR . 3.0 p-10 -131.94 152.57 51.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.264 -0.897 . . . . 0.0 109.469 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.91 135.27 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 109.517 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CZ ' ' OD2' ' A' ' 34' ' ' ASP . 97.4 m-85 -110.86 147.48 34.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -118.21 129.51 55.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.0 109.469 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -115.12 131.56 56.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.436 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 p -103.06 171.13 5.47 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -19.77 58.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.827 2.351 . . . . 0.0 112.193 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' A' ' 43' ' ' LYS . 98.8 p -78.2 -3.6 43.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.912 . . . . 0.0 109.41 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.4 0.2 71.31 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' H ' ' HG ' ' A' ' 41' ' ' SER . 88.1 tttt -74.7 141.8 44.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -1.149 . . . . 0.0 109.48 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.23 138.66 31.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.44 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -124.93 152.65 43.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.459 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 ttp180 -143.38 116.94 9.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 0.0 109.436 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.8 p 95.94 149.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -58.75 -44.03 98.51 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.55 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 51.0 Cg_exo -52.63 -32.26 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.864 2.376 . . . . 0.0 112.255 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -77.34 -53.49 7.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.195 -0.94 . . . . 0.0 109.543 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.547 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tp -63.6 -46.71 84.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 109.497 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.14 70.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' HH11 ' A' ' 53' ' ' ARG . 56.2 ttt-85 -61.38 -36.5 80.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -65.78 -48.31 72.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 0.0 109.523 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.05 -27.46 69.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.0 109.559 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 -132.05 34.4 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -105.1 33.72 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -1.179 . . . . 0.0 109.477 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.23 -22.89 14.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.266 -0.896 . . . . 0.0 109.462 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.1 t -142.74 144.65 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -98.68 115.86 29.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' ' HZ1' ' A' ' 48' ' ' LYS . 4.2 mm? -107.06 12.68 28.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 109.444 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 t -71.77 -41.89 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.0 109.43 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.46 -40.31 96.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.421 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD1' ' N ' ' A' ' 65' ' ' ASP . 5.6 t80 -100.95 153.82 19.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.68 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 85.4 m-20 -99.86 -109.94 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.429 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -176.82 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -49.05 -25.57 2.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.0 109.485 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 p -102.18 -24.85 13.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.894 . . . . 0.0 109.413 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.56 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 72.35 23.34 78.1 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 54.4 mtmt -120.46 179.41 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -1.152 . . . . 0.0 109.439 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.552 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 10.1 tpt -97.63 145.53 26.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 0.0 109.455 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.283 -0.886 . . . . 0.0 109.52 -179.362 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.85 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.952 1 C4'-C3'-C2' 111.002 7.802 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.446 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.475 4.238 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.492 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.385 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.136 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.431 1 C4'-C3'-C2' 110.955 7.755 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . 0.439 H5A1 HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.798 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.429 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.865 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.429 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.721 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.633 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.415 1 C4'-C3'-C2' 110.588 7.388 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.749 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.821 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.441 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.595 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.435 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.489 5.295 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.624 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.487 5.18 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.361 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.918 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.492 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.494 5.728 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.582 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.415 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.598 1 C4'-C3'-C2' 110.596 7.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.5 148.42 23.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.489 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.556 ' OE1' ' N ' ' A' ' 5' ' ' GLN . 24.9 mp0 -87.1 88.92 7.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.517 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 34.35 37.62 0.09 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' GLN . 81.9 mtt-85 -84.19 141.96 30.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -1.117 . . . . 0.0 109.523 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -141.55 150.52 42.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 109.428 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 17' ' ' TRP . 37.8 m-20 -120.18 124.85 46.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.509 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.18 153.26 61.38 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.43 -9.14 21.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.793 2.328 . . . . 0.0 112.267 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.96 74.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.18 -0.95 . . . . 0.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.32 149.02 42.89 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.368 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -43.37 157.08 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.8 2.333 . . . . 0.0 112.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.16 119.09 6.12 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.803 2.335 . . . . 0.0 112.242 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.08 -34.53 3.67 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 82.4 m95 -61.0 133.91 56.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.339 -1.095 . . . . 0.0 109.459 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.39 144.71 48.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.511 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -120.99 135.92 55.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.242 -0.911 . . . . 0.0 109.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.64 151.35 43.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.378 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -128.09 112.39 14.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.17 130.59 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.469 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 75.2 mt -104.69 141.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.576 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -42.43 151.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.492 -179.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -111.74 -27.81 8.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.144 -0.973 . . . . 0.0 109.415 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 p -139.39 162.52 34.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.08 141.45 10.8 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' A' ' 30' ' ' ALA . 6.7 tp -61.15 -15.19 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -1.156 . . . . 0.0 109.478 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -73.34 18.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.84 126.17 11.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.251 -0.905 . . . . 0.0 109.474 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.98 -25.48 4.63 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' HZ1' ' N4 ' ' C' ' 114' ' ' ' DC' . 37.3 ttpt -82.82 144.81 29.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -1.103 . . . . 0.0 109.495 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -144.54 162.7 35.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 0.0 109.54 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -129.18 149.5 50.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -102.79 129.05 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -115.07 147.17 40.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.334 -0.854 . . . . 0.0 109.404 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 54.8 m-85 -123.96 137.56 54.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.491 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -118.25 133.75 55.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.444 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.429 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 1.4 p -94.34 157.75 36.91 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -56.72 -11.83 7.7 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.82 2.347 . . . . 0.0 112.199 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -83.99 -4.87 59.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.454 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.28 -3.71 85.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -76.58 141.25 41.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -1.148 . . . . 0.0 109.511 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -92.35 144.05 25.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.917 . . . . 0.0 109.442 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -128.43 154.17 46.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.517 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 47' ' ' SER . 5.1 ptm180 -159.23 66.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 109.492 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.764 ' HG ' ' H ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER 166.27 119.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 109.452 -178.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.722 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 26.3 tttt -45.77 -54.15 17.35 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.482 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.722 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 14.3 Cg_endo -57.29 -22.96 51.8 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.824 2.349 . . . . 0.0 112.273 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.764 ' H ' ' HG ' ' A' ' 47' ' ' SER . 51.3 tp60 -75.83 -52.2 10.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.554 178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 HD12 ' CH2' ' A' ' 17' ' ' TRP . 47.6 tp -64.32 -44.56 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.94 . . . . 0.0 109.58 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.76 71.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.271 -0.893 . . . . 0.0 109.537 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.602 ' HG3' HH11 ' A' ' 53' ' ' ARG . 23.2 ttm-85 -61.91 -38.03 86.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 0.0 109.609 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.88 -48.9 72.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.58 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 55' ' ' LEU . 6.4 mp -68.89 -28.48 66.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 0.0 109.57 -179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.61 -131.9 26.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.44 36.35 2.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -1.176 . . . . 0.0 109.507 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.0 -22.46 17.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 109.374 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.59 151.16 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.304 -0.872 . . . . 0.0 109.419 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 42.5 p-10 -100.1 117.22 33.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.477 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 9.0 mp -99.93 15.08 28.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.485 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.6 p -57.15 -37.5 72.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 109.472 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.614 ' O ' ' N ' ' A' ' 72' ' ' MET . 29.8 m -97.64 6.87 47.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 109.519 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -98.75 116.28 30.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 0.0 109.486 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 69' ' ' GLY . 89.4 m-20 -98.1 103.8 15.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 109.472 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 6.4 p90 -64.37 -41.0 96.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 0.0 109.474 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 11.5 ptp180 -56.58 -22.74 35.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.463 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 p -120.52 -10.79 9.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 0.0 109.538 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 57.08 35.59 70.24 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -126.61 159.24 34.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.505 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.4 mmm -90.03 147.43 23.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.446 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.614 ' N ' ' O ' ' A' ' 63' ' ' CYS . 58.5 ttm . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.543 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.619 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.677 1 C4'-C3'-C2' 110.987 7.787 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.409 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.932 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.519 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.485 5.015 1 C4'-C3'-C2' 110.873 7.673 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.493 5.597 1 C4'-C3'-C2' 110.849 7.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.493 5.586 2 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.485 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.678 1 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.463 ' O6 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.79 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.957 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.606 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.381 1 C4'-C3'-C2' 110.581 7.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.754 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.109 1 C4'-C3'-C2' 111.009 7.809 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.435 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.789 1 C4'-C3'-C2' 110.856 7.656 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.45 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.488 5.256 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.642 ' N4 ' ' HZ1' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.481 4.661 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.485 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.558 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.093 1 C4'-C3'-C2' 110.963 7.763 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.519 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.903 1 C4'-C3'-C2' 110.941 7.741 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.603 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.786 1 C4'-C3'-C2' 110.898 7.698 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.652 1 C4'-C3'-C2' 110.604 7.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 5' ' ' GLN . 48.7 mtmt -78.88 136.15 37.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.282 -0.886 . . . . 0.0 109.476 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.772 ' O ' ' N ' ' A' ' 7' ' ' ARG . 98.5 mm-40 39.12 67.96 0.4 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 0.0 109.499 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . -41.04 80.49 0.0 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 5' ' ' GLN . 94.5 mtt180 -76.21 169.95 17.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -1.137 . . . . 0.0 109.513 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -136.72 148.36 47.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.461 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.31 148.83 51.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 0.0 109.488 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -77.17 119.96 79.64 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.273 -0.892 . . . . 0.0 109.491 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.28 -50.9 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.889 2.393 . . . . 0.0 112.235 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 -28.51 8.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.0 109.521 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mt -69.94 148.18 96.18 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.408 ' HB2' ' CD1' ' A' ' 17' ' ' TRP . 62.1 Cg_exo -39.19 152.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -54.32 147.98 43.7 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.829 2.353 . . . . 0.0 112.265 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.69 -26.81 7.78 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.622 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 15.9 m95 -63.69 135.75 56.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -1.191 . . . . 0.0 109.458 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.07 151.52 51.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -0.982 . . . . 0.0 109.506 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -138.36 144.92 40.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 0.0 109.557 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 12.9 tm-20 -127.65 169.53 13.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 82.6 tt0 -128.81 108.82 10.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 109.424 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.0 t -94.58 128.52 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.469 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 81.7 mt -107.21 139.11 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ILE . 23.2 mmt180 -42.14 114.46 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.447 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -81.47 -29.14 33.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.232 -0.918 . . . . 0.0 109.472 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -133.81 159.17 41.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.494 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.22 142.07 11.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.569 ' C ' ' H ' ' A' ' 30' ' ' ALA . 7.8 tt -65.53 -16.05 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -1.175 . . . . 0.0 109.47 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -71.16 23.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.394 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.569 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.59 130.72 32.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 109.475 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.94 -29.55 3.91 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.41 139.08 37.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.157 . . . . 0.0 109.451 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -136.51 157.02 47.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.534 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.94 144.9 51.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.89 . . . . 0.0 109.486 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.0 t -105.93 126.19 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 0.0 109.505 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.49 152.9 24.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.539 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 92.3 m-85 -130.26 144.53 51.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 0.0 109.458 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.04 136.07 54.01 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.446 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.622 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -93.08 164.62 20.89 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.854 . . . . 0.0 109.422 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.26 -17.93 62.44 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.899 2.4 . . . . 0.0 112.205 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.4 p -86.5 -6.57 58.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.269 -0.894 . . . . 0.0 109.495 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.68 73.6 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -75.3 134.94 40.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -1.156 . . . . 0.0 109.469 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -104.54 145.48 30.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.309 -0.869 . . . . 0.0 109.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.411 ' CD1' HD22 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -143.49 -177.35 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.0 109.559 178.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.9 ttp180 -169.67 86.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 154.26 138.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tttm -57.07 -49.46 93.86 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 0.0 109.517 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 21.5 Cg_endo -60.44 -29.3 88.42 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.807 2.338 . . . . 0.0 112.368 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -74.53 -44.8 49.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.571 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD22 ' CD1' ' A' ' 45' ' ' PHE . 96.1 mt -65.75 -43.0 90.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 109.577 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.45 72.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.555 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -66.22 -37.43 85.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.38 -47.99 52.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.214 -0.929 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.64 -24.44 67.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.604 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.17 -179.71 5.47 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' VAL . 98.4 m-20 -64.26 -25.45 68.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -1.116 . . . . 0.0 109.491 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.36 -26.44 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.0 109.425 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' ASN . 61.9 t -143.17 144.52 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.541 ' CG ' ' HG ' ' A' ' 62' ' ' SER . 42.8 t0 -108.21 120.61 42.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.55 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 5.4 mp -95.8 20.11 10.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.204 -0.935 . . . . 0.0 109.457 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.541 ' HG ' ' CG ' ' A' ' 60' ' ' ASP . 66.0 m -58.17 -42.67 86.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 -179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.94 8.4 4.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.438 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -96.3 122.23 38.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.459 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' PHE . 71.0 m-20 -70.34 -92.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.439 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.539 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 5.0 t80 163.65 -69.08 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.422 ' HG3' ' CD2' ' A' ' 66' ' ' PHE . 86.7 mtm180 -69.61 -40.48 76.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.186 -0.946 . . . . 0.0 109.452 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 69' ' ' GLY . 12.9 p -94.44 1.75 55.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 34.41 48.63 0.65 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -109.57 170.17 8.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -1.15 . . . . 0.0 109.518 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.9 148.26 26.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.205 -0.934 . . . . 0.0 109.429 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.436 -179.36 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.588 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.954 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.45 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.92 1 C4'-C3'-C2' 110.917 7.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.503 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.381 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.404 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.099 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.799 2 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.438 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.7 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.657 1 C4'-C3'-C2' 110.85 7.65 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.568 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.477 ' CYA' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.363 1 C4'-C3'-C2' 110.641 7.441 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.725 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.89 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.438 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.667 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.438 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.925 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.438 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.929 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.438 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.418 1 C4'-C3'-C2' 110.91 7.71 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.425 1 C4'-C3'-C2' 110.881 7.681 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.503 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.501 6.238 2 C4'-C3'-C2' 110.867 7.667 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.497 5.948 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.408 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 5' ' ' GLN . 97.3 m-20 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' O ' ' O ' ' A' ' 5' ' ' GLN . 72.2 mmtt 42.86 23.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.585 ' O ' ' O ' ' A' ' 4' ' ' LYS . 77.1 mt-30 54.73 152.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.932 . . . . 0.0 109.49 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.02 41.74 0.34 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.0 139.0 32.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 0.0 109.485 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -142.19 152.94 43.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.0 109.461 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 51.6 p-10 -75.22 156.31 35.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.448 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.03 120.15 35.84 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.204 -0.935 . . . . 0.0 109.421 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.36 -25.12 15.8 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.757 2.305 . . . . 0.0 112.241 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.92 -18.09 54.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 0.0 109.462 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 48.6 mt -111.69 143.22 28.15 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.0 109.483 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -41.03 160.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.785 2.323 . . . . 0.0 112.231 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 129.85 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.864 2.376 . . . . 0.0 112.24 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.53 -32.07 6.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.444 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 63.9 m95 -60.23 135.73 57.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.207 -1.172 . . . . 0.0 109.47 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.79 154.03 47.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.281 -0.887 . . . . 0.0 109.53 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -138.74 146.35 41.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -125.37 158.84 33.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -129.37 112.4 13.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.473 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.1 t -109.23 132.56 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 83.4 mt -102.3 128.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.192 -0.942 . . . . 0.0 109.474 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.683 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -44.16 111.15 0.26 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.868 . . . . 0.0 109.513 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -92.15 -23.19 19.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.49 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -102.6 131.66 49.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.269 -0.895 . . . . 0.0 109.511 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.93 138.78 8.75 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.712 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.9 tp -59.89 -28.17 67.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.282 -1.128 . . . . 0.0 109.514 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 p -61.72 24.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.712 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.81 138.42 29.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 0.0 109.44 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.58 -25.44 4.76 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -70.35 129.39 39.16 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -1.148 . . . . 0.0 109.421 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -117.89 144.55 45.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.527 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -126.21 142.32 51.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.181 -0.95 . . . . 0.0 109.394 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.89 128.71 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.933 . . . . 0.0 109.57 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -112.05 151.23 29.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 109.449 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.51 132.96 54.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -119.0 135.56 54.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -82.04 166.21 38.48 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.419 179.308 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.0 Cg_endo -58.66 -26.04 77.71 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.895 2.397 . . . . 0.0 112.146 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -74.88 -29.02 60.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.272 -0.892 . . . . 0.0 109.438 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.19 7.82 16.07 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.31 142.82 45.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -1.098 . . . . 0.0 109.484 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.61 135.51 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.877 . . . . 0.0 109.504 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -131.57 162.75 29.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 0.0 109.438 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -148.87 121.41 8.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.515 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.6 m 99.44 144.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.9 . . . . 0.0 109.479 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.832 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 1.6 ttpm? -56.85 -49.12 95.67 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.524 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.832 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.4 Cg_endo -51.93 -32.19 46.53 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.85 2.367 . . . . 0.0 112.261 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -73.07 -52.0 15.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.299 -0.876 . . . . 0.0 109.609 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.444 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -65.58 -43.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.897 . . . . 0.0 109.505 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.13 -42.2 65.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 0.0 109.563 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.707 HH11 ' CG ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.01 -36.31 82.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 0.0 109.601 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.66 -53.9 44.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.481 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.58 -21.35 63.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.27 -128.83 28.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -106.15 34.67 3.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -1.142 . . . . 0.0 109.512 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.85 18.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.227 -0.92 . . . . 0.0 109.451 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.54 149.84 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.511 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -98.43 117.26 32.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.929 . . . . 0.0 109.485 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.5 18.99 21.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.398 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 t -55.38 -43.6 75.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.46 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.546 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -86.55 25.52 1.22 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -95.84 122.06 38.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 109.524 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.777 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.5 t0 -97.84 115.3 27.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' ARG . 75.6 t80 -54.55 -47.4 73.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.923 . . . . 0.0 109.439 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.1 tpm_? -38.41 -45.3 1.01 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.6 p -139.99 -38.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.0 109.521 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.777 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 94.08 74.86 1.27 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 63' ' ' CYS . 10.3 ptpp? -114.32 165.58 12.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -1.126 . . . . 0.0 109.471 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' MET . 18.0 ttm -118.31 129.89 55.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' MET . 99.3 mmm . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.248 -0.908 . . . . 0.0 109.482 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.835 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.466 3.504 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.5 ' C8 ' " C2'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.468 3.72 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.448 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.469 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.168 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.404 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.489 5.299 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . 0.432 H5A2 HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.76 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.406 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.485 5.03 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.406 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.889 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.557 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.24 1 C4'-C3'-C2' 110.585 7.385 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.556 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.111 1 C4'-C3'-C2' 110.998 7.798 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.412 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.775 1 C4'-C3'-C2' 110.994 7.794 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.43 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.489 5.325 1 C4'-C3'-C2' 110.897 7.697 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.448 ' OP1' ' CD2' ' A' ' 66' ' ' PHE . . . . . . . . 1 O4'--C1' 1.482 4.773 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . 0.539 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.528 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.921 1 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.508 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . 0.418 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.49 5.379 1 C4'-C3'-C2' 110.88 7.68 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.466 3.526 1 C4'-C3'-C2' 110.654 7.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.339 0.59 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -87.65 -8.31 56.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' O ' ' C ' ' A' ' 6' ' ' GLY . 16.2 pt20 -145.2 -40.65 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 109.484 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 30.73 42.75 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' GLN . 99.0 mtt180 -84.45 143.88 29.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -1.145 . . . . 0.0 109.514 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -142.16 152.15 42.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.972 . . . . 0.0 109.468 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -73.88 154.68 39.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 109.478 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 t -115.16 131.38 23.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.0 109.415 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -71.97 -22.77 22.68 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.783 2.322 . . . . 0.0 112.264 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.15 -28.64 34.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 3.0 mm? -102.39 152.23 38.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.0 165.96 15.4 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.346 . . . . 0.0 112.193 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.64 126.69 20.36 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.845 2.363 . . . . 0.0 112.209 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -35.84 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.453 ' CH2' ' HB3' ' A' ' 39' ' ' SER . 64.0 m95 -67.53 140.27 56.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.462 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.49 154.79 45.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.428 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.631 ' HZ2' ' CG2' ' A' ' 35' ' ' VAL . 26.7 tttp -127.92 137.82 52.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -128.74 150.5 50.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.0 109.469 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -129.73 122.66 29.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.4 131.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.427 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.95 129.79 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 109.478 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.655 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -48.13 110.77 0.36 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.931 . . . . 0.0 109.434 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -90.78 -19.27 23.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.47 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 p -106.19 132.86 51.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.908 . . . . 0.0 109.455 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.97 140.76 8.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.74 ' C ' ' H ' ' A' ' 30' ' ' ALA . 57.4 tp -66.81 -33.3 75.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -1.177 . . . . 0.0 109.474 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -60.36 26.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 0.0 109.521 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.74 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.71 143.61 3.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.192 -0.942 . . . . 0.0 109.48 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.34 -24.27 5.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.706 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 63.3 tttm -77.16 133.21 39.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.217 -1.166 . . . . 0.0 109.468 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -132.25 153.95 50.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 51.4 t0 -127.47 146.58 50.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.91 . . . . 0.0 109.409 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.631 ' CG2' ' HZ2' ' A' ' 19' ' ' LYS . 40.2 t -107.0 130.47 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 109.529 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -116.03 146.54 42.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.516 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -119.13 131.15 55.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 0.0 109.458 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -114.57 132.34 56.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.279 -0.888 . . . . 0.0 109.505 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -100.28 159.94 28.39 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.436 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.95 -15.45 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.784 2.323 . . . . 0.0 112.257 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.99 -2.89 46.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.515 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 0.84 88.11 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.03 142.25 36.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.411 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.46 144.45 25.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 41.6 m-85 -124.46 144.71 49.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.278 -0.889 . . . . 0.0 109.464 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' SER . 7.9 ptm180 -147.46 63.1 1.15 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.17 -0.956 . . . . 0.0 109.483 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.53 ' OG ' ' OP1' ' C' ' 115' ' ' 5CM . 0.5 OUTLIER 164.63 115.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 -178.142 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.779 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 3.1 tmmm? -44.43 -50.61 22.4 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 109.465 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.779 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 19.0 Cg_endo -57.44 -24.43 60.97 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.35 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -73.98 -53.48 9.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.619 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD13 ' CH2' ' A' ' 17' ' ' TRP . 24.0 tp -62.83 -46.49 87.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.87 . . . . 0.0 109.546 178.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.48 -41.75 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.911 . . . . 0.0 109.58 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG3' HH11 ' A' ' 53' ' ' ARG . 49.2 ttm-85 -64.34 -39.51 94.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.662 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.22 -49.84 74.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.532 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.33 -24.15 67.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.507 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.94 36.25 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -104.74 32.68 3.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -1.151 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.88 -22.66 16.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 t -145.45 149.97 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 109.453 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 44.7 p-10 -103.3 119.46 38.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.506 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.7 mp -107.05 14.93 25.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -62.76 -43.54 98.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.2 m -76.56 -27.24 55.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 48.4 t80 -66.77 129.39 39.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.463 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 91.8 m-20 -82.98 -170.41 3.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.0 109.438 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -130.94 -53.53 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.653 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.6 mmt-85 -61.11 -42.72 99.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.425 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 23.5 p -104.68 -2.3 25.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.897 . . . . 0.0 109.471 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.34 35.08 14.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' H ' ' HB2' ' A' ' 65' ' ' ASP . 95.7 mttt -113.44 161.87 16.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -1.193 . . . . 0.0 109.459 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.5 mtt -89.37 148.13 23.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.417 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 109.439 -179.63 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.566 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.501 6.219 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.456 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.413 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.535 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.475 4.195 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.408 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.482 4.797 1 C4'-C3'-C2' 110.894 7.694 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.503 2 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . 0.424 H5A3 HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.54 1 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 5.007 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.747 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.633 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.078 1 C4'-C3'-C2' 110.547 7.347 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.847 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.495 5.802 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.426 ' C8 ' " C2'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.501 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.467 " C4'" HH21 ' A' ' 67' ' ' ARG . . . . . . . . 1 O4'--C1' 1.482 4.786 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.706 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.479 4.521 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . 0.53 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.665 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.106 1 C4'-C3'-C2' 110.901 7.701 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.535 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.496 5.865 2 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.566 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.413 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.459 3.004 1 C4'-C3'-C2' 110.614 7.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' LYS . 26.1 t70 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' ASP . 65.1 mmtt 46.37 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.487 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -81.11 -163.85 0.66 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.73 -73.1 0.03 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.16 163.38 27.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -1.166 . . . . 0.0 109.489 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -140.23 148.59 41.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.468 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 55.8 p-10 -75.55 153.78 37.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -119.28 117.16 33.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.68 -24.72 15.51 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.847 2.364 . . . . 0.0 112.251 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.51 -17.45 48.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.299 -0.876 . . . . 0.0 109.462 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 mp -111.1 149.03 39.9 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.283 -0.885 . . . . 0.0 109.463 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -42.7 144.02 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.837 2.358 . . . . 0.0 112.168 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.14 124.02 10.96 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.778 2.318 . . . . 0.0 112.196 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.94 -31.07 5.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.519 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 42.5 m95 -60.57 136.87 58.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -1.186 . . . . 0.0 109.483 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -127.78 150.52 49.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.464 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.83 141.71 49.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 52.0 tp10 -121.31 156.14 33.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 80.8 tt0 -127.47 111.32 13.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.524 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.42 129.38 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 84.3 mt -106.3 145.04 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.464 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' ILE . 24.1 mmt180 -42.36 114.62 0.59 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.261 -0.9 . . . . 0.0 109.491 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.97 -30.58 31.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.2 t -128.64 153.57 47.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.48 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 137.93 8.2 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.733 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -67.01 -34.89 78.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.195 -1.18 . . . . 0.0 109.475 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -61.01 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.551 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.733 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -51.32 147.05 6.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.202 -0.936 . . . . 0.0 109.48 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.23 -26.84 4.63 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -79.94 139.61 37.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.43 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -138.89 158.77 43.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.534 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 67.5 t0 -127.91 145.18 51.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 61.2 t -103.45 126.34 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 -178.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -111.46 148.04 33.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.456 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.481 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 94.7 m-85 -122.54 134.7 54.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.908 . . . . 0.0 109.476 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.58 131.51 56.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.537 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.519 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -101.74 171.01 5.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 109.469 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.63 -24.12 43.75 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.193 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -80.12 2.37 24.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.257 -0.902 . . . . 0.0 109.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.0 6.05 63.21 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' ' H ' ' A' ' 44' ' ' LYS . 27.1 tptp -76.43 141.17 41.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.178 . . . . 0.0 109.452 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 9.5 ttmm -93.98 142.99 26.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.54 160.51 35.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.8 ttp180 -148.91 123.32 9.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.736 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 13.2 p 94.35 151.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.457 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.851 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 18.2 tttm -63.8 -48.41 79.37 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.851 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.1 Cg_endo -53.03 -33.99 65.58 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.827 2.351 . . . . 0.0 112.323 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -73.63 -49.65 25.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 109.564 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.491 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.76 78.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.536 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HG2' HH11 ' A' ' 53' ' ' ARG . 54.6 ttt-85 -63.73 -39.15 93.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -64.13 -47.49 79.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.534 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.69 -29.19 64.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.634 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.21 -172.13 38.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 59' ' ' VAL . 43.5 t30 -62.47 -25.99 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -1.139 . . . . 0.0 109.503 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.7 -25.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.915 . . . . 0.0 109.447 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 57' ' ' ASN . 4.1 t -140.27 139.88 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -102.48 118.38 36.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.508 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mp -102.7 21.61 15.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 p -60.62 -41.94 95.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.339 -0.851 . . . . 0.0 109.492 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.7 m -92.57 -9.36 41.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -68.83 119.01 12.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.5 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -90.92 92.15 8.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.445 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 27.7 p90 -59.79 -44.29 94.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.594 ' HE ' ' CA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -42.15 -40.39 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 p -99.46 -24.14 14.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.82 -8.59 79.59 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 72' ' ' MET . 9.8 ptpp? -150.39 138.69 20.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtt -52.74 95.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.517 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 72' ' ' MET . 3.4 ppp? . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 109.438 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.802 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.66 1 C4'-C3'-C2' 110.985 7.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.492 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.472 3.995 1 C4'-C3'-C2' 110.877 7.677 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.418 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.526 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.131 1 C4'-C3'-C2' 110.952 7.752 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.31 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.902 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.412 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.785 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.412 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.553 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.643 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.226 1 C4'-C3'-C2' 110.544 7.344 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.709 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.729 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.451 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.699 1 C4'-C3'-C2' 110.917 7.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.425 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.902 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.424 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.928 1 C4'-C3'-C2' 110.88 7.68 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.483 4.81 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.304 1 C4'-C3'-C2' 110.893 7.693 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.775 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.607 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.775 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.841 1 C4'-C3'-C2' 110.567 7.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.578 ' O ' ' N ' ' A' ' 6' ' ' GLY . 52.6 mtpt -67.24 138.3 56.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.221 -0.925 . . . . 0.0 109.43 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' A' ' 6' ' ' GLY . 0.3 OUTLIER 42.56 19.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 109.408 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 4' ' ' LYS . . . 33.38 40.85 0.13 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' GLN . 6.1 ptm180 -82.94 136.22 34.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -1.128 . . . . 0.0 109.498 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 ' HG1' ' HE3' ' A' ' 19' ' ' LYS . 72.8 p -141.42 149.43 41.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.256 -0.902 . . . . 0.0 109.436 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -75.7 151.03 37.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.446 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.5 m -112.04 122.04 37.9 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -74.94 -29.57 8.2 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.834 2.356 . . . . 0.0 112.244 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -13.2 59.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 109.456 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 15.9 mt -116.5 145.58 35.56 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.494 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -40.18 153.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.819 2.346 . . . . 0.0 112.243 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.44 126.93 18.97 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.757 2.305 . . . . 0.0 112.247 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.07 -31.5 5.83 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 22.4 m95 -58.43 133.48 55.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -1.125 . . . . 0.0 109.403 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -131.21 156.02 46.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.4 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HE3' ' HG1' ' A' ' 8' ' ' THR . 22.5 pttp -140.43 149.2 42.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -120.54 153.51 36.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.42 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -127.55 111.41 13.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.15 129.75 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 109.407 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.42 125.65 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.484 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -48.51 106.37 0.1 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 0.0 109.499 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.97 -19.18 21.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.436 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -101.17 132.02 46.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.493 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.36 144.15 12.39 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.69 ' C ' ' H ' ' A' ' 30' ' ' ALA . 58.8 tp -63.77 -22.36 66.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -1.159 . . . . 0.0 109.417 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -64.11 24.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.872 . . . . 0.0 109.429 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.69 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.62 132.43 13.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.485 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.57 -25.6 4.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -79.53 135.6 36.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -1.139 . . . . 0.0 109.424 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.5 p -138.43 157.99 45.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -128.33 147.81 50.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.5 t -109.81 129.39 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 109.541 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.44 148.84 32.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.501 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 72.8 m-85 -124.14 137.94 54.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.42 139.51 53.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.139 -0.976 . . . . 0.0 109.478 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.449 ' HG ' ' HH ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -111.55 171.46 4.32 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.0 109.44 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.58 -23.23 10.51 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.834 2.356 . . . . 0.0 112.199 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.7 m -78.06 -5.55 51.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.454 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.86 3.49 64.03 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 45' ' ' PHE . 27.1 tptp -73.65 140.22 45.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.194 -1.18 . . . . 0.0 109.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.83 137.87 34.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.273 -0.892 . . . . 0.0 109.447 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 43' ' ' LYS . 54.2 m-85 -129.8 164.16 24.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.752 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.0 mtm180 -144.08 119.3 10.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 109.405 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.752 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 4.5 t 96.51 155.67 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 109.492 177.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.876 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 32.2 ttpt -62.92 -46.87 87.6 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.876 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 11.3 Cg_endo -54.32 -31.93 69.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.317 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -74.01 -54.22 8.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.519 ' C ' ' CD2' ' A' ' 51' ' ' LEU . 6.1 tt -66.37 -41.13 89.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.518 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.14 64.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 109.573 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 53' ' ' ARG . 80.0 mtt-85 -63.98 -34.19 77.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.641 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.449 ' HH ' ' HG ' ' A' ' 39' ' ' SER . 82.9 t80 -63.0 -50.54 70.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.74 -24.44 66.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.575 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.73 -131.06 31.35 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.78 32.99 3.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -1.14 . . . . 0.0 109.481 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.12 -21.6 17.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.493 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.88 147.93 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.0 109.471 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -103.97 120.83 41.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -114.11 20.59 15.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.9 m -84.25 -40.47 18.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.44 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.48 -44.65 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.384 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CG ' ' N ' ' A' ' 65' ' ' ASP . 94.1 t80 -106.65 164.42 12.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.444 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 64' ' ' PHE . 76.7 m-20 -78.58 -117.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.538 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 8.2 p90 -178.45 -17.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.179 -0.951 . . . . 0.0 109.485 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.672 HH11 ' CB ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -45.44 -40.81 8.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.539 -179.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.95 -37.55 5.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.869 . . . . 0.0 109.47 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.83 2.38 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -105.44 164.94 11.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -1.123 . . . . 0.0 109.423 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.92 137.79 51.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.452 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.4 ttm . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 -179.535 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.837 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.359 1 C4'-C3'-C2' 110.957 7.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.5 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.468 3.723 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.534 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.472 4.003 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.485 4.977 1 C4'-C3'-C2' 110.877 7.677 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.731 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.568 ' C2 ' ' N2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.922 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.978 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 5.028 1 C4'-C3'-C2' 110.898 7.698 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.558 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.386 1 C4'-C3'-C2' 110.66 7.46 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.685 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.096 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.417 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.921 1 C4'-C3'-C2' 110.878 7.678 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.468 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.868 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.468 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.697 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . 0.438 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.568 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.734 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.333 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.534 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.504 6.479 1 C4'-C3'-C2' 110.976 7.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.244 1 C4'-C3'-C2' 110.983 7.783 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.834 1 C4'-C3'-C2' 110.625 7.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.94 -164.78 1.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -69.34 108.96 3.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.51 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.75 154.26 37.6 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.0 169.36 17.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.491 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -139.08 150.46 45.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.435 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.61 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 56.3 t0 -80.34 158.93 25.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 0.0 109.51 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.61 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -100.11 120.52 56.54 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 109.413 178.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.9 -25.91 13.81 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.797 2.332 . . . . 0.0 112.228 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -100.75 -42.82 6.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.915 . . . . 0.0 109.478 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.8 153.96 91.2 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.499 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -39.47 136.99 1.0 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.793 2.328 . . . . 0.0 112.155 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.8 126.16 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.832 2.355 . . . . 0.0 112.185 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.43 -32.08 5.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 37.5 m95 -57.28 132.59 53.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -1.144 . . . . 0.0 109.494 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -119.83 145.31 46.75 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.449 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -126.79 138.4 53.35 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.544 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -122.6 145.25 48.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.41 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -127.24 113.02 15.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.497 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.7 131.85 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.941 . . . . 0.0 109.409 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.9 mt -99.74 128.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 109.483 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -51.11 108.08 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.0 109.494 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -92.85 -13.53 28.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.885 . . . . 0.0 109.444 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -100.65 130.93 46.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 0.0 109.512 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.82 142.41 11.04 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.707 ' C ' ' H ' ' A' ' 30' ' ' ALA . 8.5 tp -66.39 -28.37 68.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -1.171 . . . . 0.0 109.486 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.6 t -62.71 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.16 143.98 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.483 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.31 -22.88 5.25 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.88 134.87 35.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -1.151 . . . . 0.0 109.469 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.6 p -136.5 157.14 47.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.569 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -125.16 144.7 50.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.0 109.392 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -112.98 131.02 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.314 -0.866 . . . . 0.0 109.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -115.31 148.22 39.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -120.77 134.11 55.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.59 131.47 56.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -0.845 . . . . 0.0 109.473 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -103.41 170.84 5.73 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.284 -0.885 . . . . 0.0 109.459 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.12 -28.13 68.65 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.821 2.347 . . . . 0.0 112.257 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -72.46 -2.29 18.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.6 1.51 66.25 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.06 141.92 41.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -1.138 . . . . 0.0 109.452 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.97 142.15 27.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 0.0 109.455 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -126.46 151.64 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.776 ' O ' ' CB ' ' A' ' 47' ' ' SER . 29.3 mtm180 -135.67 108.48 7.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.776 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 22.3 p 98.53 152.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.457 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.786 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.9 tttm -56.19 -52.16 75.1 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.902 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.786 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 6.0 Cg_endo -49.2 -31.01 20.68 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.38 . . . . 0.0 112.332 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.739 ' NE2' HH21 ' A' ' 53' ' ' ARG . 1.3 tp-100 -72.27 -55.91 6.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.41 -41.74 80.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.0 109.483 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -48.24 -49.19 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 0.0 109.568 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.739 HH21 ' NE2' ' A' ' 50' ' ' GLN . 86.2 mtm180 -59.51 -31.37 69.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.574 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.44 -51.12 68.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.525 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.29 -57.33 2.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 93.19 -108.55 3.68 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -91.49 -16.94 26.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -1.155 . . . . 0.0 109.533 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.13 33.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.42 137.13 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 109.436 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -97.19 115.09 26.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.883 . . . . 0.0 109.425 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.69 10.1 36.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.421 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -57.6 -42.76 83.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.281 -0.887 . . . . 0.0 109.521 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.7 13.82 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.95 . . . . 0.0 109.422 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 85.9 t80 -104.2 126.24 51.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 109.456 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.632 ' OD1' ' N ' ' A' ' 70' ' ' LYS . 5.3 p30 -91.71 -164.96 1.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 24.6 m-85 -127.59 -45.32 1.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.264 -0.898 . . . . 0.0 109.44 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.524 ' NH1' ' HG3' ' A' ' 67' ' ' ARG . 4.5 mtm-85 -65.77 -41.43 92.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.505 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 70' ' ' LYS . 77.0 p -107.97 0.74 22.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.52 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 39.24 22.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.632 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 17.9 ttpt -81.92 164.19 21.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -1.132 . . . . 0.0 109.422 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.41 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 11.5 ttm -120.24 138.57 53.58 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -0.923 . . . . 0.0 109.508 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 -179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.789 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.462 3.256 1 C4'-C3'-C2' 110.97 7.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.529 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.461 3.146 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.547 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.47 3.817 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.439 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.48 4.617 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.401 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.463 2 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . 0.401 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.536 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.006 1 C4'-C3'-C2' 110.984 7.784 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.423 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.733 1 C4'-C3'-C2' 110.952 7.752 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.423 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.512 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.632 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.226 1 C4'-C3'-C2' 110.639 7.439 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.756 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.857 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.458 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.564 1 C4'-C3'-C2' 110.924 7.724 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.493 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.478 4.451 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.493 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.679 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.536 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.66 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.311 1 C4'-C3'-C2' 110.916 7.716 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.547 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.961 2 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.593 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.726 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.469 3.749 1 C4'-C3'-C2' 110.599 7.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -94.22 -10.54 32.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.615 ' O ' ' C ' ' A' ' 6' ' ' GLY . 88.9 mt-30 -104.14 1.85 31.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.258 -0.902 . . . . 0.0 109.448 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 29.84 38.02 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' A' ' 5' ' ' GLN . 34.3 ptt180 -81.34 149.76 28.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 0.0 109.51 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -141.92 150.69 41.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -77.73 156.31 30.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.438 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 117.48 43.73 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.57 -25.6 24.66 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.355 . . . . 0.0 112.268 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.68 -10.04 59.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -0.923 . . . . 0.0 109.453 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.63 146.99 41.13 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -40.34 149.8 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.865 2.377 . . . . 0.0 112.149 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.37 122.5 8.72 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.823 2.349 . . . . 0.0 112.28 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.77 -30.91 5.16 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.428 ' CH2' HD11 ' A' ' 51' ' ' LEU . 28.0 m95 -59.8 133.63 56.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -1.132 . . . . 0.0 109.424 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -126.43 151.23 48.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.92 . . . . 0.0 109.44 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -142.99 147.97 36.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 109.499 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.607 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 5.2 tp10 -141.59 140.82 33.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.403 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 42.8 tt0 -107.9 127.11 53.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -0.911 . . . . 0.0 109.486 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.91 131.43 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.862 . . . . 0.0 109.404 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.3 mt -101.53 124.27 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.486 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 105.46 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.487 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -93.39 -15.83 25.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 109.46 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -97.7 131.09 44.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.497 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.35 146.0 17.86 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.611 ' C ' ' H ' ' A' ' 30' ' ' ALA . 11.4 tp -62.85 -15.7 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.412 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 23.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.424 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.611 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.38 130.45 13.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.248 -0.908 . . . . 0.0 109.529 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 -25.86 4.98 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 131.35 38.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.28 -1.13 . . . . 0.0 109.398 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 p -140.38 159.42 42.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 0.0 109.536 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 66.1 t0 -130.71 151.75 50.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.421 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.597 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 28.4 t -100.77 128.07 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 109.497 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -113.61 144.65 42.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.56 135.24 53.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.297 -0.877 . . . . 0.0 109.499 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.76 130.55 56.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.508 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.512 ' H ' ' HG ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -83.59 166.39 34.67 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.309 -0.87 . . . . 0.0 109.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.56 -34.12 61.29 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.805 2.336 . . . . 0.0 112.233 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -70.33 -29.64 66.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.39 9.97 14.11 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.6 tttm -74.3 143.66 44.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 0.0 109.513 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -97.52 141.21 30.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 109.476 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.645 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 27.8 m-85 -130.66 166.92 19.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 109.495 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.707 ' O ' ' CB ' ' A' ' 47' ' ' SER . 20.9 mtm180 -143.57 117.92 9.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.707 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 t 91.7 161.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.224 -0.923 . . . . 0.0 109.456 176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 18.8 tptm -69.13 -43.84 26.1 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.0 109.555 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 52.2 Cg_exo -49.77 -38.54 47.09 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.805 2.337 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.645 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 tm0? -73.85 -49.35 25.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 109.589 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD11 ' CH2' ' A' ' 17' ' ' TRP . 40.3 tp -63.72 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.557 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.03 74.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -64.37 -39.08 93.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.598 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.0 -49.01 74.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.474 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.21 -25.64 64.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.502 ' C ' ' H ' ' A' ' 58' ' ' ALA . . . 66.68 -177.45 17.86 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.73 37.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -1.153 . . . . 0.0 109.501 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 56' ' ' GLY . . . -87.71 -22.1 24.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 109.497 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -146.17 151.27 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 36.1 p-10 -88.44 109.77 20.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.517 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.5 mt -97.63 12.25 34.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -51.59 -36.8 47.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.481 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 70' ' ' LYS . 80.2 m -83.46 11.61 6.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 109.449 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD2' ' HA2' ' A' ' 69' ' ' GLY . 29.0 t80 -95.32 113.29 24.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.176 -0.953 . . . . 0.0 109.478 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.581 ' CB ' ' OG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.37 71.45 0.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 0.0 109.433 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' A' ' 67' ' ' ARG . 91.4 m-85 55.51 -152.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.452 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 66' ' ' PHE . 43.4 ttm-85 -34.51 -35.23 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.17 -0.956 . . . . 0.0 109.445 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.681 ' HG1' ' N ' ' A' ' 69' ' ' GLY . 21.7 p -60.09 -43.08 95.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 109.467 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.681 ' N ' ' HG1' ' A' ' 68' ' ' THR . . . 32.38 84.13 0.01 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 63' ' ' CYS . 70.1 mmtt -121.81 158.62 28.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -1.112 . . . . 0.0 109.432 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' MET . 13.8 mtp -123.59 128.75 50.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' MET . 6.2 mmm . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.848 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.611 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.49 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.895 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.469 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.473 4.095 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.975 1 C4'-C3'-C2' 110.889 7.689 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.488 5.204 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.69 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.41 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.486 5.105 1 C4'-C3'-C2' 110.945 7.745 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.41 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.863 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.634 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.504 6.444 1 C4'-C3'-C2' 110.627 7.427 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.636 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.875 1 C4'-C3'-C2' 110.961 7.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.456 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.74 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.456 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.1 1 C4'-C3'-C2' 110.976 7.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.448 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.482 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.348 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.719 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.769 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.606 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.2 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.472 3.992 1 C4'-C3'-C2' 110.613 7.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -79.74 138.43 37.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.544 ' O ' ' C ' ' A' ' 6' ' ' GLY . 99.2 mt-30 -96.99 61.42 1.78 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.241 -0.912 . . . . 0.0 109.486 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 34.64 45.47 0.52 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.07 140.45 29.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -1.166 . . . . 0.0 109.534 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -141.96 151.69 42.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.64 153.41 40.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.0 109.484 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -106.27 117.43 57.32 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.45 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.42 -29.12 9.64 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.777 2.318 . . . . 0.0 112.238 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.07 -6.04 59.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.93 . . . . 0.0 109.455 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD23 ' CD2' ' A' ' 17' ' ' TRP . 10.0 mp -121.18 149.3 51.32 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -40.3 146.08 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.827 2.351 . . . . 0.0 112.167 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.09 124.62 11.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.375 . . . . 0.0 112.25 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -32.36 4.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.478 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 30.8 m95 -60.17 135.67 57.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.268 -1.137 . . . . 0.0 109.45 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.57 154.17 46.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.858 . . . . 0.0 109.401 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -144.96 150.6 37.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.222 -0.923 . . . . 0.0 109.487 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -126.62 155.46 42.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.414 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -126.29 114.39 18.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -112.54 131.08 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.398 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.0 mt -102.9 135.92 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.898 . . . . 0.0 109.496 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.623 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -47.93 105.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.49 -179.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.72 -16.96 34.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 m -108.56 134.08 51.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 138.99 8.45 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.9 tp -70.08 -34.07 72.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.237 -1.155 . . . . 0.0 109.407 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ALA . 50.8 m -61.97 25.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.476 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.691 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.39 153.08 0.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -178.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.21 -21.68 5.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.04 133.28 33.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -1.117 . . . . 0.0 109.512 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.6 p -138.73 158.95 43.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 55.6 t0 -127.79 146.88 50.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 0.0 109.463 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 60.9 t -113.55 133.32 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 0.0 109.475 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -115.59 147.29 40.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.195 -0.941 . . . . 0.0 109.474 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -124.4 138.42 54.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.31 130.04 56.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.635 ' HG ' ' H ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -86.22 164.62 37.71 Favored Pre-proline 0 N--CA 1.489 1.484 0 O-C-N 121.3 -0.875 . . . . 0.0 109.451 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.65 -26.74 80.57 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.842 2.361 . . . . 0.0 112.206 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.635 ' H ' ' HG ' ' A' ' 39' ' ' SER . 79.7 p -72.91 -26.92 61.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.907 . . . . 0.0 109.491 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 1.19 26.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -72.38 141.35 48.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.217 -1.167 . . . . 0.0 109.523 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -98.67 141.09 31.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 36.6 m-85 -132.29 167.46 19.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.171 -0.956 . . . . 0.0 109.483 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.711 ' O ' ' CB ' ' A' ' 47' ' ' SER . 53.4 mtm180 -145.34 120.95 10.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.451 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 92.44 154.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.484 177.565 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.32 -41.37 41.72 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.935 . . . . 0.0 109.489 -177.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.5 Cg_exo -52.08 -33.6 54.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.765 2.31 . . . . 0.0 112.324 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.624 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.2 tm0? -77.53 -47.17 20.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tp -64.67 -43.72 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.531 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.64 74.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -37.2 86.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.278 -0.889 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -63.92 -48.05 78.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.548 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.7 -26.44 66.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 -132.2 26.95 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -106.64 35.0 3.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.244 -1.15 . . . . 0.0 109.424 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.8 -21.94 15.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.17 147.61 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.918 . . . . 0.0 109.41 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -105.65 120.35 41.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.452 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.0 mt -102.35 16.59 25.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 t -61.55 -44.04 97.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.465 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.08 -31.42 62.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.891 . . . . 0.0 109.483 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -72.81 120.17 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.234 -0.916 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.2 t0 -98.33 109.75 22.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 109.551 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 29.6 p90 -64.81 -44.42 89.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.469 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 6.8 tpm_? -46.95 -42.24 17.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -109.33 -5.44 15.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 0.0 109.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 58.28 31.2 65.56 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -115.66 158.44 22.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 ttt -120.6 131.82 54.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.284 -0.885 . . . . 0.0 109.498 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.1 mtp . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.507 -179.726 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.845 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.82 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.614 ' N7 ' " H2'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.462 3.211 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.512 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.467 3.645 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.414 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.485 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.403 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.431 2 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . 0.53 H5A3 HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.77 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.755 1 C4'-C3'-C2' 110.924 7.724 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.754 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.608 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.502 6.317 1 C4'-C3'-C2' 110.563 7.363 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.638 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.498 6.024 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.446 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.475 4.246 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.494 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.83 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.494 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.526 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.478 4.482 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.974 1 C4'-C3'-C2' 110.913 7.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.512 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.499 6.08 2 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.537 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.084 1 C4'-C3'-C2' 110.97 7.77 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.469 3.806 1 C4'-C3'-C2' 110.595 7.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 5' ' ' GLN . 54.7 p-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.277 0.561 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -68.91 62.68 0.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.448 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' O ' ' C ' ' A' ' 6' ' ' GLY . 2.5 pt20 -163.46 -16.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.478 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 31.43 -102.31 0.01 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.653 ' NH2' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -75.16 169.2 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -1.15 . . . . 0.0 109.504 -178.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' HH21 ' A' ' 7' ' ' ARG . 81.7 p -137.88 149.88 46.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.653 ' N ' ' NH2' ' A' ' 7' ' ' ARG . 22.2 t70 -71.44 146.03 48.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 0.0 109.437 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 t -121.84 116.97 30.02 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -70.26 -18.17 34.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.831 2.354 . . . . 0.0 112.262 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -77.18 -18.88 57.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 0.0 109.564 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 5.3 mp -117.59 148.78 43.68 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.43 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -41.74 153.91 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.786 2.324 . . . . 0.0 112.224 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -54.23 129.59 35.33 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.8 2.333 . . . . 0.0 112.215 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.02 -31.54 6.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.498 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 40.0 m95 -56.56 135.97 54.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -1.156 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -115.33 144.05 44.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' NZ ' ' HA3' ' A' ' 69' ' ' GLY . 68.5 tttt -126.92 136.32 52.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.496 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -131.76 143.89 50.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.389 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 8.4 tm-20 -126.84 124.21 39.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.528 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -120.05 133.69 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.404 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 HD13 HG22 ' A' ' 23' ' ' ILE . 92.4 mt -100.47 136.56 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mtt-85 -48.83 113.04 0.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 109.46 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -74.83 -2.42 26.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.503 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.727 ' O ' ' C ' ' A' ' 27' ' ' GLY . 4.2 p -81.22 -162.45 0.5 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.191 -0.943 . . . . 0.0 109.481 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.727 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -20.36 138.39 0.01 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.647 ' C ' ' H ' ' A' ' 30' ' ' ALA . 60.2 tp -64.14 -39.37 93.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -1.152 . . . . 0.0 109.448 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -59.66 6.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.484 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.647 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.18 -75.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 0.0 109.45 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.4 -11.84 2.08 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 30' ' ' ALA . 10.6 mmmt -85.78 129.13 34.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.284 -1.127 . . . . 0.0 109.442 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 65.8 m -127.51 150.92 49.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.547 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -120.4 139.39 52.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.423 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.405 HG11 ' HH ' ' A' ' 37' ' ' TYR . 35.4 t -112.43 132.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 109.488 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -115.23 139.83 49.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.915 . . . . 0.0 109.495 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CD1' ' CE2' ' A' ' 66' ' ' PHE . 81.2 m-85 -120.91 135.32 55.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 109.498 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -116.68 133.3 56.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.216 -0.927 . . . . 0.0 109.482 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.663 ' HG ' ' HG ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -105.7 166.05 12.01 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.278 -0.888 . . . . 0.0 109.424 179.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.2 Cg_endo -57.93 -18.22 34.18 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.852 2.368 . . . . 0.0 112.197 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.663 ' HG ' ' HG ' ' A' ' 39' ' ' SER . 81.9 p -76.79 -16.29 59.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.428 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.74 -3.25 77.87 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.04 137.67 43.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -1.173 . . . . 0.0 109.543 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -93.97 138.38 32.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 109.454 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 45.6 m-85 -121.31 130.35 53.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.296 -0.877 . . . . 0.0 109.472 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -107.73 -3.09 19.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.391 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -152.17 152.36 32.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.286 -0.884 . . . . 0.0 109.459 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 17.9 ttpp -57.44 -50.79 86.14 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.536 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 4.6 Cg_endo -46.44 -31.09 9.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.917 2.411 . . . . 0.0 112.264 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -72.04 -52.6 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.518 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.4 tp -65.78 -45.45 82.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.891 . . . . 0.0 109.573 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.5 -47.12 39.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.561 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.614 ' HG2' HH11 ' A' ' 53' ' ' ARG . 32.6 mtt-85 -63.62 -37.37 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.645 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -63.5 -51.99 63.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.11 -28.27 68.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 -146.31 40.33 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -93.05 40.51 1.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -1.136 . . . . 0.0 109.493 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.53 -19.69 13.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.477 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.27 143.69 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 109.404 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 38.3 p-10 -103.45 119.07 38.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.528 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.88 15.72 26.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.5 m -61.71 -43.59 98.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.49 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.9 m -71.21 -29.3 64.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 109.499 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 60.9 t80 -87.31 122.65 31.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.953 . . . . 0.0 109.477 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 69' ' ' GLY . 90.3 m-20 -104.94 131.26 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.468 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.642 ' CE2' ' CD1' ' A' ' 37' ' ' TYR . 3.5 m-85 -69.5 -40.28 77.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -53.81 -44.19 69.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.473 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.1 p -101.08 -18.31 16.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.438 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 59.9 37.55 92.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -133.09 161.36 34.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.3 -1.118 . . . . 0.0 109.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.6 ttm -114.41 132.77 56.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 ptt? . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.926 . . . . 0.0 109.449 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.652 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.495 5.778 1 C4'-C3'-C2' 111.0 7.8 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.482 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.473 4.072 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.508 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.474 4.176 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.409 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.481 4.695 1 C4'-C3'-C2' 110.916 7.716 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.965 1 C4'-C3'-C2' 110.922 7.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.735 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.428 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.782 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.428 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.607 1 C4'-C3'-C2' 110.883 7.683 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.644 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.246 1 C4'-C3'-C2' 110.635 7.435 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.701 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.5 6.152 1 C4'-C3'-C2' 110.96 7.76 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.449 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.64 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.465 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.787 1 C4'-C3'-C2' 110.943 7.743 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.465 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.371 1 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.51 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.48 4.65 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.508 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 5.986 1 C4'-C3'-C2' 110.902 7.702 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.611 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.414 1 C4'-C3'-C2' 111.032 7.832 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.465 3.443 1 C4'-C3'-C2' 110.605 7.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.78 -7.74 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.31 -0.869 . . . . 0.0 109.511 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.438 ' HG2' ' H ' ' A' ' 6' ' ' GLY . 17.7 tt0 -166.22 -146.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.194 -0.941 . . . . 0.0 109.455 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.438 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 149.46 79.48 0.03 OUTLIER Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.631 HH11 ' CG ' ' A' ' 7' ' ' ARG . 1.2 ptt-85 -82.55 158.71 23.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -1.167 . . . . 0.0 109.537 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -141.67 151.88 43.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 109.429 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 38.7 t70 -75.69 158.0 32.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.232 -0.917 . . . . 0.0 109.487 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.2 116.9 58.64 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.185 -0.947 . . . . 0.0 109.456 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -74.23 -31.22 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.83 2.353 . . . . 0.0 112.255 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.54 -7.75 59.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 0.0 109.546 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -117.67 153.72 50.69 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.42 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -41.65 156.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.864 2.376 . . . . 0.0 112.177 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.11 120.77 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.769 2.313 . . . . 0.0 112.193 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.69 5.65 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.467 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 47.0 m95 -60.76 135.74 57.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -1.156 . . . . 0.0 109.465 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.41 152.52 47.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 9' ' ' ASP . 25.6 pttm -136.73 145.41 44.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.231 -0.918 . . . . 0.0 109.469 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 5' ' ' GLN . 84.6 tt0 -124.72 153.79 41.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 109.428 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -127.12 114.25 17.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 109.53 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -107.85 130.12 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 109.525 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.2 mt -99.0 120.56 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 105.14 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.355 -0.841 . . . . 0.0 109.453 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -100.09 -8.28 23.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.357 -0.84 . . . . 0.0 109.52 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -89.52 129.57 35.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.532 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 154.37 26.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.726 ' C ' ' H ' ' A' ' 30' ' ' ALA . 3.1 tm? -64.07 -38.9 92.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -1.164 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -61.74 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.892 . . . . 0.0 109.465 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.726 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.06 142.46 16.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.83 -23.61 4.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.648 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 88.1 tttt -76.06 137.71 40.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.153 . . . . 0.0 109.449 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.584 ' CB ' HH22 ' A' ' 67' ' ' ARG . 61.2 p -135.36 156.29 49.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.465 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -130.76 152.22 50.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.331 -0.856 . . . . 0.0 109.434 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.89 131.72 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -115.27 150.35 36.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.917 . . . . 0.0 109.412 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -125.38 139.37 53.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -122.17 136.87 54.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.261 -0.9 . . . . 0.0 109.535 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.3 p -104.31 171.48 5.0 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 0.0 109.444 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.55 -23.35 64.42 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.526 ' HG ' ' H ' ' A' ' 43' ' ' LYS . 84.2 p -73.08 -2.08 19.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.538 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.56 0.42 54.02 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.526 ' H ' ' HG ' ' A' ' 41' ' ' SER . 32.9 ttpt -73.88 142.72 46.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.287 -1.125 . . . . 0.0 109.551 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -91.05 138.59 31.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 57.0 m-85 -123.54 154.02 39.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 47' ' ' SER . 61.9 mtm180 -139.36 113.3 8.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.483 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.724 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 6.0 p 93.36 154.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.894 . . . . 0.0 109.461 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 26.2 tttt -61.74 -43.56 88.17 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.443 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 53.3 Cg_exo -48.53 -38.56 35.86 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.893 2.396 . . . . 0.0 112.275 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.629 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 34.8 tp60 -72.4 -51.31 20.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.5 tp -63.94 -43.24 96.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.86 65.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.184 -0.947 . . . . 0.0 109.609 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.629 ' NH2' ' NE2' ' A' ' 50' ' ' GLN . 48.8 mtm-85 -62.26 -36.52 82.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.316 -0.865 . . . . 0.0 109.586 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.76 -51.41 62.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.85 -26.13 68.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.08 -137.09 35.54 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -107.27 35.59 3.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.63 -22.23 18.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.3 t -146.92 152.96 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -99.76 116.43 31.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.7 mt -96.39 12.29 31.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -60.07 -43.08 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.32 13.64 5.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.51 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -112.13 125.15 53.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -80.39 -172.28 3.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.0 109.427 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' HA ' ' A' ' 47' ' ' SER . 61.5 t80 -132.01 -56.12 0.98 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.524 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.63 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -59.85 -44.76 93.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 69' ' ' GLY . 24.5 p -101.76 1.09 36.91 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.287 -0.883 . . . . 0.0 109.479 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 35.33 78.25 0.04 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -145.65 167.78 22.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -1.089 . . . . 0.0 109.536 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mmt -111.02 134.95 52.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.494 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.229 -0.92 . . . . 0.0 109.437 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.852 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.616 1 C4'-C3'-C2' 110.937 7.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.618 ' N7 ' " H2'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.463 3.284 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.518 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.471 3.927 1 C4'-C3'-C2' 110.892 7.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.092 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.565 1 C4'-C3'-C2' 110.982 7.782 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.975 1 C4'-C3'-C2' 110.942 7.742 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.48 4.637 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.483 4.882 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.626 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 6.022 1 C4'-C3'-C2' 110.585 7.385 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.693 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.819 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.44 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.605 1 C4'-C3'-C2' 110.89 7.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.513 ' C8 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.484 4.944 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.648 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.779 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.511 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.957 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.518 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.954 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.156 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.634 1 C4'-C3'-C2' 110.594 7.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' GLN . 99.5 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 48.45 19.19 0.21 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.14 -0.975 . . . . 0.0 109.462 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' ASP . 24.6 pt20 -95.39 50.5 1.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.69 155.51 35.51 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.32 168.39 20.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -1.127 . . . . 0.0 109.507 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 p -141.11 150.24 42.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.883 . . . . 0.0 109.449 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -82.64 154.09 25.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.436 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 131.16 21.94 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.428 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -72.71 -24.53 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.86 2.374 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.08 -41.52 11.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.475 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.626 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 2.9 mm? -73.13 143.42 83.58 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.46 152.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.194 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -50.53 123.25 11.0 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.86 2.374 . . . . 0.0 112.198 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.82 -30.7 6.71 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 21.6 m95 -60.67 136.62 58.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -1.18 . . . . 0.0 109.462 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.58 152.09 42.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -135.2 144.16 46.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.476 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -132.02 148.94 52.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.443 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.9 122.83 35.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -113.34 130.83 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -101.09 132.14 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.205 -0.934 . . . . 0.0 109.45 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.04 106.93 0.22 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.536 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -91.61 -12.37 34.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.427 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -102.32 131.53 48.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.43 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.71 143.04 11.02 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.3 tp -70.26 -33.19 71.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -1.114 . . . . 0.0 109.487 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 30' ' ' ALA . 5.8 t -61.81 25.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.237 -0.914 . . . . 0.0 109.443 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.718 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.42 149.65 0.11 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.0 109.5 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.12 -21.2 5.54 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' NZ ' ' N4 ' ' C' ' 114' ' ' ' DC' . 54.0 tttt -80.67 125.84 30.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 0.0 109.492 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 m -132.1 154.69 49.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -0.918 . . . . 0.0 109.524 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -126.86 147.17 50.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 t -105.9 130.18 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.261 -0.899 . . . . 0.0 109.566 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -115.55 140.55 49.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 109.394 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -123.45 139.07 54.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -114.39 131.05 56.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.473 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.597 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -99.67 165.54 14.49 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 18.8 Cg_endo -59.06 -19.6 49.56 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.807 2.338 . . . . 0.0 112.227 178.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -5.18 54.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 0.0 109.459 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.04 88.44 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.39 138.51 36.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.145 . . . . 0.0 109.49 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -99.58 147.1 25.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 0.0 109.419 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.58 156.37 34.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.549 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 64.2 mtm180 -132.63 109.35 9.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.431 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.1 p 91.35 158.79 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.937 . . . . 0.0 109.449 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.7 ttmt -62.32 -44.85 89.46 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.484 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.0 Cg_exo -48.43 -35.38 28.07 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.896 2.397 . . . . 0.0 112.262 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -78.46 -51.12 10.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.2 -43.33 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.557 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.19 -45.87 75.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.532 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -60.49 -33.55 72.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.556 -179.595 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.43 -51.63 62.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.2 mt -73.09 -34.18 66.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.591 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.78 -171.02 54.54 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' VAL . 5.5 m120 -63.15 -22.57 66.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 0.0 109.436 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.3 -22.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.494 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.0 t -140.32 140.08 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.07 117.51 34.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.248 -0.908 . . . . 0.0 109.485 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.56 16.56 21.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.44 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -58.56 -44.02 89.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.49 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 70.2 m -86.19 11.35 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.928 . . . . 0.0 109.5 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -113.28 113.28 25.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -100.89 108.21 19.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.447 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CZ ' ' NH1' ' A' ' 67' ' ' ARG . 8.2 p90 -61.91 -34.56 76.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 109.401 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.754 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.7 mmt-85 -35.4 -47.81 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.173 -0.954 . . . . 0.0 109.511 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -124.38 12.3 8.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.912 . . . . 0.0 109.495 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.95 41.71 52.71 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.36 152.64 27.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.236 -1.155 . . . . 0.0 109.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttm -120.76 130.51 54.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.486 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 -179.801 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.539 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.928 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.422 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.474 1 C4'-C3'-C2' 110.86 7.66 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.541 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.427 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 5.013 1 C4'-C3'-C2' 110.89 7.69 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.497 5.894 2 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.407 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.927 1 C4'-C3'-C2' 110.902 7.702 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.488 5.194 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.478 4.481 1 C4'-C3'-C2' 110.897 7.697 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.61 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.964 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.792 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.035 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.471 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.472 4.007 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.471 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.47 1 C4'-C3'-C2' 110.975 7.775 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.66 ' N4 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.478 4.448 1 C4'-C3'-C2' 110.996 7.796 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.407 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.679 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.19 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.92 2 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.613 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.692 1 C4'-C3'-C2' 110.958 7.758 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.419 1 C4'-C3'-C2' 110.6 7.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -63.03 -39.45 94.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HG2' ' H ' ' A' ' 6' ' ' GLY . 35.3 tt0 -92.09 176.62 6.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.491 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 108.5 147.37 12.63 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.737 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -81.91 164.61 21.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.295 -1.121 . . . . 0.0 109.552 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.3 p -137.21 147.6 45.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.209 -0.932 . . . . 0.0 109.449 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.41 153.32 38.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.557 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.89 129.52 90.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.317 -0.864 . . . . 0.0 109.467 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.64 -49.97 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.244 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 -28.45 8.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -0.929 . . . . 0.0 109.477 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.15 148.66 95.99 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -41.2 147.3 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.84 2.36 . . . . 0.0 112.164 -178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 127.32 23.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.814 2.343 . . . . 0.0 112.219 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.46 -35.23 3.81 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.414 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 71.7 m95 -62.52 138.9 58.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.414 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -124.25 148.88 47.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.432 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -118.58 134.19 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -127.18 148.95 50.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.893 . . . . 0.0 109.477 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.22 118.46 21.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.0 109.476 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -115.18 133.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.48 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -100.78 129.46 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 109.476 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -55.53 114.35 1.81 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.472 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.49 -16.76 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.279 -0.888 . . . . 0.0 109.511 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -102.55 130.9 49.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.9 141.84 9.98 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.1 tp -61.12 -15.77 36.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.188 -1.184 . . . . 0.0 109.48 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -72.43 23.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.501 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -46.6 129.91 11.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.19 -0.944 . . . . 0.0 109.403 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.48 -23.89 5.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 134.29 39.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -1.148 . . . . 0.0 109.439 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 15.3 t -133.45 154.8 50.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -126.89 146.97 50.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' NH2' ' A' ' 67' ' ' ARG . 2.6 t -108.12 129.39 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.24 -0.913 . . . . 0.0 109.508 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -114.68 148.04 38.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.431 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -117.44 130.11 56.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.189 -0.945 . . . . 0.0 109.468 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.39 133.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.414 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -107.75 171.57 4.49 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.916 . . . . 0.0 109.497 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.59 -20.21 8.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.314 . . . . 0.0 112.23 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.1 p -78.54 -0.88 31.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.477 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.29 3.12 36.95 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -75.8 144.83 41.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -1.187 . . . . 0.0 109.557 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.54 140.02 29.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 109.418 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -125.67 146.52 49.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 47' ' ' SER . 4.8 ptm180 -149.24 68.59 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.417 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 157.61 118.08 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.479 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 24.3 ttpt -51.1 -43.06 84.02 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 109.553 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 32.5 Cg_exo -57.68 -30.15 87.9 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.867 2.378 . . . . 0.0 112.314 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -74.37 -53.96 8.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 109.569 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.66 -44.37 96.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.99 61.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.233 -0.917 . . . . 0.0 109.567 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.93 -34.11 77.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.891 . . . . 0.0 109.581 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.54 -51.93 63.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.918 . . . . 0.0 109.57 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.63 -21.7 66.12 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 109.606 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.4 -132.73 35.65 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -105.07 33.33 3.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 109.463 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.17 -23.75 16.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.481 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -144.3 147.33 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.487 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -98.67 115.91 29.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.0 109.485 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.3 mp -105.0 12.6 32.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.451 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.7 m -63.5 -43.89 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 0.0 109.433 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.17 -33.99 74.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.204 -0.935 . . . . 0.0 109.432 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.57 125.83 27.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.238 -0.914 . . . . 0.0 109.494 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -79.01 -159.49 0.19 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 109.457 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -135.14 -53.68 0.79 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.445 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NH1' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -68.89 -39.16 79.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 109.488 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.4 p -97.74 -12.48 22.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.96 44.55 32.13 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -117.5 157.54 26.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -1.129 . . . . 0.0 109.415 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 tpt -80.25 148.28 30.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.476 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.0 mtp . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 -179.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.536 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.838 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.071 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.478 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.484 4.901 1 C4'-C3'-C2' 110.883 7.683 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.089 1 C4'-C3'-C2' 110.912 7.712 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.994 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.365 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.567 1 C4'-C3'-C2' 110.947 7.747 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.123 1 C4'-C3'-C2' 110.961 7.761 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.65 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.507 6.727 1 C4'-C3'-C2' 110.606 7.406 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.57 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.96 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.407 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.942 1 C4'-C3'-C2' 110.975 7.775 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.403 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.495 5.8 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.49 5.379 1 C4'-C3'-C2' 110.882 7.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . 0.476 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.923 1 C4'-C3'-C2' 110.852 7.652 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.664 1 C4'-C3'-C2' 110.935 7.735 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.478 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 6.019 2 C4'-C3'-C2' 110.944 7.744 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.599 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 6.004 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.468 3.71 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' GLN . 98.7 mttt -74.11 137.63 43.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.513 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LYS . 94.0 mt-30 42.32 -112.22 0.19 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.542 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.16 47.58 0.35 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -86.6 136.77 32.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -1.136 . . . . 0.0 109.509 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.4 p -141.93 152.2 43.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.236 -0.915 . . . . 0.0 109.406 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 53.5 p30 -75.99 157.68 32.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.442 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 13' ' ' LEU . 4.3 t -114.4 116.95 43.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.951 . . . . 0.0 109.423 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -72.31 -23.51 20.66 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.84 2.36 . . . . 0.0 112.231 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.19 -10.62 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' CD1' ' SG ' ' A' ' 10' ' ' CYS . 5.4 mp -121.35 147.65 47.82 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 109.475 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -41.04 151.12 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.847 2.365 . . . . 0.0 112.139 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.8 125.62 14.78 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.856 2.37 . . . . 0.0 112.253 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.15 -32.19 4.64 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 28.5 m95 -60.44 133.54 56.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -1.104 . . . . 0.0 109.408 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 mttp -130.37 156.27 45.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 0.0 109.471 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HZ2' ' HH ' ' A' ' 37' ' ' TYR . 17.3 ptmt -148.27 152.57 37.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.0 109.484 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -126.69 158.07 37.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -127.32 115.31 18.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.59 131.8 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -102.94 133.01 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 0.0 109.418 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.416 HH21 H5A1 ' B' ' 105' ' ' 5CM . 30.9 ttm180 -61.41 107.25 0.75 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -94.82 -8.03 38.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.0 109.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -97.66 130.64 44.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.495 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 146.57 16.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.728 ' C ' ' H ' ' A' ' 30' ' ' ALA . 62.5 tp -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -1.18 . . . . 0.0 109.448 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.0 m -61.32 25.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.728 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.12 147.32 0.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.516 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.44 -21.75 5.37 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.06 125.44 30.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 0.0 109.51 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -132.05 154.29 49.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.926 . . . . 0.0 109.514 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 65.8 t0 -127.26 146.69 50.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.555 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 75.6 t -113.24 132.39 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 0.0 109.523 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.79 145.76 40.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.478 ' HH ' ' HZ2' ' A' ' 19' ' ' LYS . 97.3 m-85 -120.62 134.08 55.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.502 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -113.12 129.45 56.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.923 . . . . 0.0 109.528 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.68 161.57 26.16 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.457 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.16 -18.61 30.22 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.845 2.363 . . . . 0.0 112.244 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -81.37 -8.0 59.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.413 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 -2.14 81.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.11 137.71 40.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -1.149 . . . . 0.0 109.459 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.28 142.88 29.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.531 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.2 163.8 25.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 mtm180 -142.47 119.21 11.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 0.0 109.458 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.74 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.5 m 94.7 154.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.0 109.493 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.862 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -60.8 -48.01 94.14 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.529 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.862 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.9 Cg_endo -53.66 -29.91 53.25 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.79 2.327 . . . . 0.0 112.322 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.443 ' HG2' ' H ' ' A' ' 46' ' ' ARG . 9.6 tp-100 -76.04 -53.03 8.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.447 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' C ' ' CD2' ' A' ' 51' ' ' LEU . 6.8 tt -64.81 -44.75 88.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.67 76.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.578 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG3' HH11 ' A' ' 53' ' ' ARG . 52.0 ttm-85 -62.41 -36.25 81.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 109.672 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.84 -47.25 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.555 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.6 mt -75.39 -31.4 60.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.875 . . . . 0.0 109.625 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.16 -173.62 48.29 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' VAL . 83.3 m-20 -64.48 -23.73 67.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.98 -24.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.892 . . . . 0.0 109.406 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.1 t -140.57 140.41 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -107.41 120.66 42.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.547 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 61' ' ' LEU . 5.3 mp -103.19 23.17 12.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 0.0 109.473 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.5 p -60.77 -35.71 77.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.453 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.7 t -82.05 10.9 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.421 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 65' ' ' ASP . 88.2 t80 -128.51 129.2 45.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.491 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 38.9 t0 -80.04 -149.47 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.728 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 33.0 p90 -157.71 -56.54 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.462 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.728 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 14.7 ptm180 -54.05 -32.51 54.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 109.448 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -108.88 -36.96 5.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.865 . . . . 0.0 109.458 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.22 64.23 1.67 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -138.41 158.81 43.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.289 -1.124 . . . . 0.0 109.434 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.3 tpt -97.18 144.36 27.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.223 -0.923 . . . . 0.0 109.436 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.641 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.692 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.461 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.41 1 C4'-C3'-C2' 110.887 7.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.533 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.476 4.3 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.404 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.49 5.362 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.416 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.49 5.408 2 C4'-C3'-C2' 110.912 7.712 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . 0.416 H5A1 HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.565 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.94 1 C4'-C3'-C2' 110.941 7.741 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.419 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.777 1 C4'-C3'-C2' 110.861 7.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.419 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.726 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.61 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.506 6.646 1 C4'-C3'-C2' 110.553 7.353 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.835 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.857 1 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.495 ' N7 ' " H2'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.472 4.019 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.45 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.634 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.45 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.687 1 C4'-C3'-C2' 110.934 7.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . 0.408 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.565 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.436 1 C4'-C3'-C2' 110.854 7.654 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.074 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.499 6.072 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.623 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.747 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.38 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -78.06 141.61 38.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.301 -0.874 . . . . 0.0 109.514 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 45.99 -151.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.36 -58.75 0.04 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.61 170.06 16.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 109.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -141.09 149.85 42.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.449 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.98 150.44 40.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.484 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 126.51 30.59 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 109.448 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.16 -31.16 7.99 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.803 2.336 . . . . 0.0 112.204 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.65 57.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -110.56 144.61 30.57 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.427 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -41.66 159.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.809 2.339 . . . . 0.0 112.155 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.57 125.39 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.862 2.375 . . . . 0.0 112.246 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.63 -31.26 6.23 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.634 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 52.7 m95 -59.51 137.48 58.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.0 150.38 44.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.437 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -131.75 141.29 49.47 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -127.62 149.46 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.393 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -126.71 116.52 21.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.16 -0.963 . . . . 0.0 109.503 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.5 t -115.15 131.78 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.414 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.26 133.71 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.179 -0.951 . . . . 0.0 109.526 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -64.11 110.89 2.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 109.434 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -95.9 -6.19 39.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.408 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 30.8 t -98.16 129.53 44.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 0.0 109.494 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.76 16.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.736 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.8 tp -69.02 -32.37 71.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -1.153 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 30' ' ' ALA . 90.6 p -60.77 24.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.736 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.27 145.26 0.25 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.224 -0.922 . . . . 0.0 109.552 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.51 -20.84 5.48 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' NZ ' ' N4 ' ' C' ' 114' ' ' ' DC' . 89.1 tttt -81.66 128.8 34.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -1.14 . . . . 0.0 109.495 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.6 p -131.56 153.43 49.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -124.4 143.66 50.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.279 -0.888 . . . . 0.0 109.394 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.438 HG13 ' HH ' ' A' ' 37' ' ' TYR . 75.1 t -111.1 132.5 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -117.52 144.44 45.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.283 -0.886 . . . . 0.0 109.424 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HH ' HG13 ' A' ' 35' ' ' VAL . 85.8 m-85 -118.35 132.3 56.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -119.64 134.45 55.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.533 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.634 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -115.46 171.43 4.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.421 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.41 -33.61 57.5 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.839 2.359 . . . . 0.0 112.212 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -60.4 -16.6 37.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.81 -2.75 85.7 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 87.6 tttt -76.51 142.81 40.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -1.125 . . . . 0.0 109.496 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -90.13 137.6 32.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 74.7 m-85 -123.93 151.03 44.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 109.459 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.7 mtm180 -136.53 110.08 8.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 92.42 162.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.882 . . . . 0.0 109.494 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.53 -42.51 20.06 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 109.458 -178.092 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.7 Cg_exo -48.0 -39.34 32.78 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.879 2.386 . . . . 0.0 112.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 41.0 tt0 -78.93 -56.27 4.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.19 -19.47 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 0.0 109.552 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -76.22 -43.74 40.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.616 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.6 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 59.0 mtm-85 -61.11 -34.35 74.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.638 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -65.8 -52.48 50.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.68 -29.92 71.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.164 -0.96 . . . . 0.0 109.573 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.47 -139.64 37.73 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -100.1 34.46 2.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -1.177 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.86 -21.04 17.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.476 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -146.7 152.24 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.0 109.419 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -104.72 119.75 39.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.169 -0.957 . . . . 0.0 109.483 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 61' ' ' LEU . 9.5 mp -106.71 17.66 22.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 109.466 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -58.92 -41.74 88.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 109.499 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -87.16 30.26 0.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.95 121.39 44.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.33 167.77 20.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 16.5 m-85 -100.01 -55.8 2.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.712 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -76.77 -39.25 52.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 70' ' ' LYS . 30.7 p -93.98 -9.11 38.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 39.01 24.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 68' ' ' THR . 19.9 ttmt -94.46 167.63 11.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -1.156 . . . . 0.0 109.507 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' MET . 2.9 mmt -77.06 142.12 39.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.485 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' MET . 52.4 ttp . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.677 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.825 1 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.446 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.476 4.298 1 C4'-C3'-C2' 110.978 7.778 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.525 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.499 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.467 1 C4'-C3'-C2' 110.889 7.689 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.466 2 C4'-C3'-C2' 110.971 7.771 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.953 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.404 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.484 4.91 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.404 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.486 5.102 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.619 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.09 1 C4'-C3'-C2' 110.576 7.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.852 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.135 1 C4'-C3'-C2' 111.009 7.809 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.485 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.476 4.307 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.49 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.477 4.388 1 C4'-C3'-C2' 110.892 7.692 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.49 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.407 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . 0.403 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.48 4.577 1 C4'-C3'-C2' 110.887 7.687 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.332 1 C4'-C3'-C2' 110.911 7.711 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.525 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.782 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.546 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.972 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.412 1 C4'-C3'-C2' 110.629 7.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.66 144.93 31.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.487 ' HG3' ' H ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -76.97 -172.5 2.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.219 -0.926 . . . . 0.0 109.482 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' H ' ' HG3' ' A' ' 5' ' ' GLN . . . -154.75 36.29 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.414 ' HE ' ' HG2' ' A' ' 5' ' ' GLN . 89.5 mtm180 -88.49 142.1 27.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -1.105 . . . . 0.0 109.523 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -141.79 154.62 45.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.78 152.43 42.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.136 -0.978 . . . . 0.0 109.439 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.0 121.21 48.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 0.0 109.463 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.86 -30.43 11.3 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.917 2.412 . . . . 0.0 112.267 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.93 -12.59 58.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 9.5 mp -114.27 150.64 44.04 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 109.535 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -42.88 154.9 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 112.21 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -54.24 126.33 21.79 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.831 2.354 . . . . 0.0 112.268 178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.83 -31.46 5.52 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CH2' ' CD2' ' A' ' 51' ' ' LEU . 51.5 m95 -59.88 139.25 57.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -1.149 . . . . 0.0 109.436 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.5 154.52 45.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HZ3' ' C ' ' A' ' 69' ' ' GLY . 14.6 ptpt -138.11 147.08 43.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -132.89 152.58 51.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -128.12 121.73 30.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.84 134.38 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.447 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -101.62 144.15 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -58.75 114.47 2.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.506 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -1.58 24.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.922 . . . . 0.0 109.457 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.806 ' O ' ' O ' ' A' ' 27' ' ' GLY . 4.1 t -80.02 -162.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.28 -0.887 . . . . 0.0 109.495 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' A' ' 26' ' ' SER . . . -16.91 138.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -175.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.735 ' C ' ' H ' ' A' ' 30' ' ' ALA . 56.2 tp -63.81 -37.87 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.225 -1.162 . . . . 0.0 109.446 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -55.78 9.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.26 -0.9 . . . . 0.0 109.433 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.735 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.5 -80.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.257 -0.902 . . . . 0.0 109.493 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 -17.01 0.21 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.625 ' H ' ' C ' ' A' ' 30' ' ' ALA . 98.4 mttt -81.34 130.28 34.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -1.149 . . . . 0.0 109.51 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.2 p -123.11 147.49 46.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.0 109.473 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.57 134.81 54.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.885 . . . . 0.0 109.455 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.03 130.48 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.44 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -116.41 144.62 44.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 109.441 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -117.3 129.85 56.16 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 109.501 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.89 128.84 55.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.152 -0.968 . . . . 0.0 109.503 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.473 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -112.33 167.72 8.73 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.405 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 17.2 Cg_endo -56.8 -20.43 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.859 2.373 . . . . 0.0 112.18 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.2 -17.29 61.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.424 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.26 -2.45 88.15 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.35 141.48 36.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.514 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -88.84 138.29 31.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.462 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -126.54 155.37 42.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' SER . 1.5 ptm180 -160.57 78.98 0.64 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 158.45 117.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.47 -179.234 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.703 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.7 tttp -43.31 -54.72 9.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.512 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.703 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 15.6 Cg_endo -56.75 -23.71 51.34 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.861 2.374 . . . . 0.0 112.275 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -73.38 -51.79 16.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 109.592 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' ' CH2' ' A' ' 17' ' ' TRP . 20.8 mt -64.03 -44.65 91.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 0.0 109.521 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.13 -41.55 60.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.582 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.684 HH11 ' CG ' ' A' ' 53' ' ' ARG . 2.0 ttt-85 -66.51 -38.7 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.71 -52.32 61.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.497 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.47 -23.01 67.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.557 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.81 -135.38 35.31 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.94 33.87 2.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -1.155 . . . . 0.0 109.535 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.52 -22.89 13.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.399 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.85 142.99 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.302 -0.874 . . . . 0.0 109.493 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -101.72 118.92 37.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.488 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 94.3 mt -107.1 18.6 21.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.487 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.86 31.97 0.61 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.432 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -110.18 123.76 50.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.0 109.449 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.43 -179.4 7.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.47 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -118.2 -55.54 2.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -52.1 -44.44 64.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.403 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.605 ' O ' ' C ' ' A' ' 69' ' ' GLY . 67.8 p -113.37 10.72 18.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.45 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 30.42 47.26 0.13 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' THR . 8.9 tptp -104.12 170.52 7.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -1.175 . . . . 0.0 109.463 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.405 ' H ' ' HG3' ' A' ' 70' ' ' LYS . 32.4 tpp -100.13 140.71 33.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 109.442 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 109.464 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.61 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.704 1 C4'-C3'-C2' 110.937 7.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.462 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.45 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.462 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.834 1 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . 0.419 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.483 4.859 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.174 1 C4'-C3'-C2' 110.87 7.67 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.476 4.275 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.438 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.619 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.438 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.597 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.535 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.506 6.592 1 C4'-C3'-C2' 110.568 7.368 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.804 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.498 5.989 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.471 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.543 1 C4'-C3'-C2' 110.881 7.681 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.485 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.481 4.696 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.526 ' OP2' ' CZ ' ' A' ' 67' ' ' ARG . . . . . . . . 1 O4'--C1' 1.479 4.53 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . 0.546 ' P ' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.416 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.683 1 C4'-C3'-C2' 111.012 7.812 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.493 5.603 1 C4'-C3'-C2' 110.85 7.65 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.628 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.551 1 C4'-C3'-C2' 110.982 7.782 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.411 1 C4'-C3'-C2' 110.618 7.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.294 0.569 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 53.1 mtpt -80.7 153.15 28.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.206 -0.933 . . . . 0.0 109.414 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 1.8 tp-100 78.47 106.91 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.938 . . . . 0.0 109.418 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . -113.5 -36.85 1.38 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -75.16 155.54 36.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -1.136 . . . . 0.0 109.558 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -140.88 146.01 36.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.152 -0.968 . . . . 0.0 109.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -76.41 160.29 29.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.56 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -107.94 114.83 59.58 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 109.458 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.32 -30.64 93.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.8 2.334 . . . . 0.0 112.219 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.488 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -81.84 -13.5 57.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD2' ' CE3' ' A' ' 17' ' ' TRP . 10.8 mp -113.34 154.29 45.39 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.0 109.472 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.68 156.18 19.46 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.864 2.376 . . . . 0.0 112.191 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.55 125.73 14.62 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.841 2.36 . . . . 0.0 112.228 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.48 -33.02 4.29 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.631 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 37.1 m95 -63.61 133.48 53.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.26 -1.141 . . . . 0.0 109.483 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -137.4 160.93 37.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.513 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -148.86 154.91 40.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 6' ' ' GLY . 52.8 tp10 -140.12 138.41 35.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -102.33 127.05 49.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.219 -0.926 . . . . 0.0 109.544 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.0 133.45 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.311 -0.868 . . . . 0.0 109.411 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 97.2 mt -103.31 141.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.456 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' ILE . 21.8 mmt180 -42.51 119.83 1.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 0.0 109.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -32.94 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.489 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 m -128.19 153.74 46.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.513 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 142.48 9.23 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.685 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.7 tp -65.04 -32.39 74.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -1.14 . . . . 0.0 109.529 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -62.81 24.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.925 . . . . 0.0 109.496 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.685 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.72 133.86 20.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 109.472 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.62 -24.61 4.88 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' NZ ' ' C8 ' ' C' ' 113' ' ' ' DG' . 15.8 tttp -69.25 126.09 28.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.233 -1.157 . . . . 0.0 109.412 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 3.7 p -119.78 146.0 46.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -176.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -125.98 143.69 50.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.26 -0.9 . . . . 0.0 109.395 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 HG12 ' CE1' ' A' ' 37' ' ' TYR . 85.0 t -106.64 129.13 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 0.0 109.576 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.78 146.8 36.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.619 ' HH ' ' C ' ' A' ' 66' ' ' PHE . 7.9 m-85 -122.1 135.82 54.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 109.442 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.86 135.02 55.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.501 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.631 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -95.93 166.41 14.49 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 20.4 Cg_endo -60.57 -15.81 38.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.817 2.345 . . . . 0.0 112.246 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.5 p -81.06 -6.03 58.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.35 -4.11 85.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.91 142.88 39.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -1.145 . . . . 0.0 109.517 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -98.14 146.31 25.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.73 167.91 20.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.2 ttp180 -163.06 83.64 0.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.935 . . . . 0.0 109.443 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 155.95 124.29 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.333 -0.854 . . . . 0.0 109.449 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.787 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -49.54 -49.29 72.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.902 . . . . 0.0 109.479 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.787 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 24.5 Cg_endo -61.74 -24.54 77.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.827 2.351 . . . . 0.0 112.262 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.55 -49.86 36.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.917 . . . . 0.0 109.56 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 10.8 mp -65.64 -42.08 91.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 0.0 109.553 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.54 -44.41 65.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.307 -0.871 . . . . 0.0 109.546 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.695 ' HG2' HH11 ' A' ' 53' ' ' ARG . 18.7 mtt-85 -67.11 -35.64 80.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.887 . . . . 0.0 109.583 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.36 -50.93 61.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -0.894 . . . . 0.0 109.506 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.71 -24.91 62.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.913 . . . . 0.0 109.615 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.11 -132.9 31.0 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ALA . 97.2 m-20 -96.73 -22.04 17.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -1.134 . . . . 0.0 109.45 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -43.97 -28.7 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -0.938 . . . . 0.0 109.482 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -142.19 142.91 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.0 109.475 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 45.2 p-10 -105.46 120.12 40.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.498 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mp -106.24 17.85 22.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 m -63.64 -43.37 96.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.278 -0.889 . . . . 0.0 109.441 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.451 ' HB3' ' H ' ' A' ' 72' ' ' MET . 85.8 m -71.58 -34.53 70.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.0 109.49 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 62.6 t80 -79.57 129.3 34.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.213 -0.93 . . . . 0.0 109.456 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 22.9 t0 -80.17 -141.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.31 -0.869 . . . . 0.0 109.431 179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.619 ' C ' ' HH ' ' A' ' 37' ' ' TYR . 5.2 p90 -154.47 -49.06 0.09 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.483 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 10.1 mmm180 -65.86 -45.12 83.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 0.0 109.458 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -106.13 -9.84 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.184 -0.948 . . . . 0.0 109.434 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 53.92 72.77 0.49 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -134.93 147.69 49.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -1.123 . . . . 0.0 109.437 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mmt -83.29 146.82 28.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.451 ' H ' ' HB3' ' A' ' 63' ' ' CYS . 78.0 mtm . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.843 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.872 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.513 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.903 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.475 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.393 1 C4'-C3'-C2' 110.946 7.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 5.037 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.474 1 C4'-C3'-C2' 110.997 7.797 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.483 4.864 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.425 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.62 1 C4'-C3'-C2' 111.001 7.801 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.507 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.605 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.504 6.445 1 C4'-C3'-C2' 110.576 7.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.717 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.674 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.443 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.47 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.45 ' C8 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.484 4.928 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 4.981 1 C4'-C3'-C2' 110.882 7.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.734 1 C4'-C3'-C2' 110.903 7.703 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.043 1 C4'-C3'-C2' 110.853 7.653 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.475 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.738 1 C4'-C3'-C2' 110.922 7.722 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.628 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.496 5.83 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.474 4.119 1 C4'-C3'-C2' 110.548 7.348 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 4' ' ' LYS . 97.3 m-20 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' ASP . 12.2 mttm 44.06 -169.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.256 -0.902 . . . . 0.0 109.478 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.3 tt0 70.12 -48.15 0.63 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 4' ' ' LYS . . . -119.63 -28.45 1.92 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' NH2' ' OD1' ' A' ' 9' ' ' ASP . 2.0 tmt_? -87.19 140.36 29.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.538 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -142.13 154.0 44.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.879 . . . . 0.0 109.434 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.586 ' OD1' ' NH2' ' A' ' 7' ' ' ARG . 95.6 m-20 -72.09 155.02 40.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -113.97 125.38 29.48 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.224 -0.923 . . . . 0.0 109.512 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.58 -22.86 20.49 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.924 2.416 . . . . 0.0 112.245 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.1 -25.15 32.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.0 109.463 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 mt -100.99 147.25 33.45 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 109.521 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 17' ' ' TRP . 9.8 Cg_endo -53.94 165.33 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.896 2.397 . . . . 0.0 112.137 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.59 124.24 15.36 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.832 2.355 . . . . 0.0 112.215 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.17 -32.37 4.76 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.424 ' CD1' ' HG2' ' A' ' 14' ' ' PRO . 45.1 m95 -61.37 138.32 58.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -1.161 . . . . 0.0 109.416 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -120.38 144.63 47.79 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.267 -0.896 . . . . 0.0 109.459 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.93 139.26 47.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 11.3 tm-20 -129.77 155.28 46.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.453 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 83.0 tt0 -125.78 117.13 22.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 0.0 109.489 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.4 t -106.95 129.98 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.157 -0.965 . . . . 0.0 109.478 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 HD12 HG22 ' A' ' 23' ' ' ILE . 86.0 mt -103.63 133.1 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -63.42 105.24 0.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -91.94 -7.12 49.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -0.883 . . . . 0.0 109.452 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -97.78 131.14 44.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.84 144.76 13.19 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.737 ' C ' ' H ' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -72.1 -43.88 64.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.111 . . . . 0.0 109.497 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 30' ' ' ALA . 50.2 m -61.43 25.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.471 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.737 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.85 164.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 0.0 109.458 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.85 -21.04 5.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 124.6 29.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -1.159 . . . . 0.0 109.462 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -128.64 151.58 49.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 0.0 109.54 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -126.47 144.68 50.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.908 . . . . 0.0 109.44 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -106.49 130.85 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.228 -0.92 . . . . 0.0 109.519 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -112.41 141.13 46.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -120.04 132.47 55.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.473 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -118.32 133.55 55.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.455 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.442 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -105.75 166.53 11.16 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 0.0 109.506 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 12.8 Cg_endo -55.2 -12.1 4.96 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.829 2.352 . . . . 0.0 112.273 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.0 p -83.72 -5.39 59.18 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.466 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.92 0.01 67.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -77.12 143.16 39.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -1.111 . . . . 0.0 109.508 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -88.67 139.0 30.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.302 -0.874 . . . . 0.0 109.427 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' HD22 ' A' ' 51' ' ' LEU . 56.0 m-85 -125.8 150.56 47.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.4 ttp180 -158.36 73.0 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 158.79 120.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.791 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -50.4 -49.81 75.01 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.517 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 17.5 Cg_endo -57.86 -26.11 72.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.877 2.385 . . . . 0.0 112.256 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -74.6 -50.87 16.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.575 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 45' ' ' PHE . 80.8 mt -65.65 -42.58 91.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.04 -44.78 67.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.283 -0.886 . . . . 0.0 109.594 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.477 ' HG2' HH11 ' A' ' 53' ' ' ARG . 59.6 ttt-85 -67.61 -35.25 78.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.639 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.33 -53.45 43.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.39 -22.06 65.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 109.55 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -171.7 27.34 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' VAL . 47.8 p-10 -64.35 -23.19 67.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -1.128 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . . . -41.29 -25.34 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' ASN . 19.8 t -143.27 144.37 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 109.469 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.523 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 46.5 p-10 -101.51 117.85 35.75 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 0.0 109.473 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.63 12.21 37.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.6 m -60.07 -43.95 95.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.864 . . . . 0.0 109.479 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.6 m -75.37 -30.71 60.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 109.486 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -60.81 130.08 44.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.479 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 53.8 t0 -90.59 167.62 12.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.276 -0.89 . . . . 0.0 109.48 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 62.9 t80 -110.97 -56.6 2.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -55.58 -42.34 74.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 109.449 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.468 ' OG1' ' OD2' ' A' ' 65' ' ' ASP . 71.2 p -97.16 -38.36 9.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.474 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.7 32.3 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -113.77 172.0 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.201 -1.176 . . . . 0.0 109.452 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.2 ttm -119.44 133.89 55.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.444 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.5 ttp . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.484 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ' DG' . . . . . 0.805 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.872 1 C4'-C3'-C2' 110.988 7.788 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.485 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.639 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.517 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.471 3.925 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.478 4.477 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.42 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.483 4.855 2 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' 5CM . . . . . 0.42 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.515 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.548 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.421 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.479 4.534 1 C4'-C3'-C2' 110.873 7.673 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.133 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' TED . . . . . 0.643 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.118 1 C4'-C3'-C2' 110.621 7.421 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' ' DG' . . . . . 0.746 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.626 1 C4'-C3'-C2' 110.986 7.786 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.51 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.918 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.45 1 C4'-C3'-C2' 110.985 7.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ' DC' . . . . . 0.493 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.871 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DG' . . . . . 0.515 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.476 4.298 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.476 4.329 1 C4'-C3'-C2' 111.001 7.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.491 5.477 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' TED . . . . . 0.588 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 6.027 1 C4'-C3'-C2' 110.938 7.738 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.83 1 C4'-C3'-C2' 110.671 7.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -87.6 150.6 23.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -1.203 . . . . 0.0 109.506 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.8 p -142.03 152.65 43.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 0.0 109.445 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -78.22 159.32 28.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 109.451 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.56 123.04 63.09 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.537 179.012 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.38 -31.49 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.264 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.97 -41.22 5.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.263 -0.898 . . . . 0.0 109.499 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 6.3 mp -71.83 154.58 92.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.534 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 Cg_exo -38.32 135.63 0.66 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.819 2.346 . . . . 0.0 112.186 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.6 Cg_exo -49.59 131.84 29.19 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 0.0 112.258 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.76 -33.22 5.46 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.656 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 12.9 m95 -55.54 133.43 50.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -1.191 . . . . 0.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -121.65 146.69 46.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -138.08 144.89 41.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.47 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -127.35 156.11 42.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.221 -0.924 . . . . 0.0 109.453 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -127.79 113.02 15.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 109.552 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.51 131.52 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.91 . . . . 0.0 109.414 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.2 mt -102.1 128.95 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 0.0 109.472 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -55.71 106.86 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.358 -0.838 . . . . 0.0 109.452 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -92.73 -11.02 35.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.0 109.487 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -99.0 130.43 45.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.335 -0.853 . . . . 0.0 109.432 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 143.24 11.33 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.666 ' C ' ' H ' ' A' ' 30' ' ' ALA . 9.0 tp -67.66 -31.36 71.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -1.185 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' ALA . 32.6 p -62.85 25.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.875 . . . . 0.0 109.492 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.666 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -45.02 147.17 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 0.0 109.46 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.06 -22.88 5.33 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -78.75 128.57 33.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -1.15 . . . . 0.0 109.459 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -132.54 154.2 50.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -128.34 148.12 50.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.2 131.77 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -115.21 148.53 38.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 0.0 109.442 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -126.48 139.55 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.435 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.503 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 84.7 m-85 -115.65 133.23 56.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.53 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.656 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -86.22 164.23 39.32 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.0 109.454 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.24 -26.42 81.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.892 2.394 . . . . 0.0 112.204 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -28.19 62.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.468 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.57 0.79 23.23 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -72.62 140.57 48.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -1.169 . . . . 0.0 109.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -96.74 140.13 31.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -0.955 . . . . 0.0 109.427 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.69 165.6 21.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.514 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.71 ' O ' ' CB ' ' A' ' 47' ' ' SER . 23.5 mtm180 -142.44 120.47 12.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.0 109.423 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.71 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.9 t 92.77 154.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.885 . . . . 0.0 109.393 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 36.5 tttt -63.11 -43.64 81.96 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 0.0 109.536 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.8 Cg_exo -50.44 -32.06 32.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.889 2.393 . . . . 0.0 112.369 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.55 -46.92 18.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 52.6 tp -65.8 -43.03 89.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 0.0 109.483 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.76 82.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.543 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.696 ' HG2' HH11 ' A' ' 53' ' ' ARG . 17.5 mtt-85 -60.98 -35.81 77.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.608 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.13 -46.23 81.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.49 -28.01 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.27 -133.49 28.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -106.89 35.72 2.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -1.162 . . . . 0.0 109.477 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.63 -21.38 17.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.432 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.8 t -148.4 152.59 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.459 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -105.67 120.51 41.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 0.0 109.413 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 11.0 mp -98.97 17.76 18.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.435 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.84 -43.64 90.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.9 m -89.15 8.27 30.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -102.9 115.62 30.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -0.875 . . . . 0.0 109.449 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' GLY . 64.5 t0 -93.72 103.39 15.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.484 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' C ' ' A' ' 67' ' ' ARG . 26.2 p90 -64.38 -43.56 94.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.249 -0.907 . . . . 0.0 109.468 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.594 ' HG3' HH11 ' A' ' 67' ' ' ARG . 30.4 mmm-85 -36.64 -48.28 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -106.35 -24.87 12.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.0 109.408 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 83.19 40.9 8.85 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -122.79 165.49 16.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.511 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.6 ttm . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 109.457 -179.701 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -88.72 150.22 23.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -1.132 . . . . 0.0 109.504 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -141.22 153.49 45.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.595 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 51.7 t0 -84.91 165.14 17.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.255 -0.903 . . . . 0.0 109.525 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -118.27 122.14 30.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 178.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.96 -15.64 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.353 . . . . 0.0 112.248 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.552 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -98.52 -41.95 7.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.6 mp -77.41 150.31 79.65 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.428 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -41.15 136.64 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.82 2.346 . . . . 0.0 112.151 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -48.39 125.37 12.1 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.819 2.346 . . . . 0.0 112.187 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.17 -32.03 4.69 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 35.2 m95 -58.51 133.03 55.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -1.122 . . . . 0.0 109.476 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -119.86 144.94 47.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 69' ' ' GLY . 32.2 mtpt -133.18 139.41 47.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.534 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -124.38 153.35 42.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.415 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -127.27 115.94 19.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.91 . . . . 0.0 109.527 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.81 131.98 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 109.46 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.3 mt -102.89 133.24 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.0 109.466 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.56 107.39 0.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.49 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -10.03 36.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -98.42 130.78 45.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.73 144.91 13.39 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' ' H ' ' A' ' 30' ' ' ALA . 45.4 tp -68.41 -32.91 73.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 0.0 109.405 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' ALA . 81.0 p -61.75 25.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.508 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.0 148.5 0.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.09 -22.72 5.34 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.74 130.22 35.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 109.471 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 p -134.57 155.13 50.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.568 ' OD2' ' CZ ' ' A' ' 36' ' ' TYR . 3.0 p-10 -131.94 152.57 51.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.264 -0.897 . . . . 0.0 109.469 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.91 135.27 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 109.517 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CZ ' ' OD2' ' A' ' 34' ' ' ASP . 97.4 m-85 -110.86 147.48 34.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 19' ' ' LYS . 41.8 m-85 -118.21 129.51 55.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.0 109.469 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -115.12 131.56 56.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 p -103.06 171.13 5.47 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -19.77 58.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.827 2.351 . . . . 0.0 112.193 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.8 p -78.2 -3.6 43.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.912 . . . . 0.0 109.41 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.4 0.2 71.31 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.7 141.8 44.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -1.149 . . . . 0.0 109.48 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.23 138.66 31.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.44 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -124.93 152.65 43.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.459 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 ttp180 -143.38 116.94 9.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 0.0 109.436 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.8 p 95.94 149.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.734 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.75 -44.03 98.51 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.55 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 51.0 Cg_exo -52.63 -32.26 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.864 2.376 . . . . 0.0 112.255 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -77.34 -53.49 7.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.195 -0.94 . . . . 0.0 109.543 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tp -63.6 -46.71 84.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 109.497 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.14 70.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' HH11 ' A' ' 53' ' ' ARG . 56.2 ttt-85 -61.38 -36.5 80.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -65.78 -48.31 72.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 0.0 109.523 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.05 -27.46 69.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.0 109.559 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 -132.05 34.4 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -105.1 33.72 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -1.179 . . . . 0.0 109.477 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.23 -22.89 14.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.266 -0.896 . . . . 0.0 109.462 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.1 t -142.74 144.65 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 61' ' ' LEU . 58.2 t0 -98.68 115.86 29.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.734 HD12 ' NZ ' ' A' ' 48' ' ' LYS . 4.2 mm? -107.06 12.68 28.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 109.444 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 t -71.77 -41.89 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.0 109.43 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.46 -40.31 96.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.421 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD1' ' N ' ' A' ' 65' ' ' ASP . 5.6 t80 -100.95 153.82 19.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.68 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 85.4 m-20 -99.86 -109.94 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.429 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -176.82 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -49.05 -25.57 2.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.0 109.485 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 p -102.18 -24.85 13.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.894 . . . . 0.0 109.413 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.559 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 72.35 23.34 78.1 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 54.4 mtmt -120.46 179.41 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -1.152 . . . . 0.0 109.439 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.552 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 10.1 tpt . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 0.0 109.455 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 7' ' ' ARG . 81.9 mtt-85 -84.19 141.96 30.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -1.117 . . . . 0.0 109.523 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -141.55 150.52 42.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 109.428 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 17' ' ' TRP . 37.8 m-20 -120.18 124.85 46.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.509 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.18 153.26 61.38 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.43 -9.14 21.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.793 2.328 . . . . 0.0 112.267 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.96 74.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.18 -0.95 . . . . 0.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.32 149.02 42.89 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.368 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -43.37 157.08 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.8 2.333 . . . . 0.0 112.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.16 119.09 6.12 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.803 2.335 . . . . 0.0 112.242 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.08 -34.53 3.67 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 82.4 m95 -61.0 133.91 56.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.339 -1.095 . . . . 0.0 109.459 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.39 144.71 48.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.511 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -120.99 135.92 55.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.242 -0.911 . . . . 0.0 109.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.64 151.35 43.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.378 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -128.09 112.39 14.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.17 130.59 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.469 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 75.2 mt -104.69 141.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -42.43 151.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.492 -179.651 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -111.74 -27.81 8.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.144 -0.973 . . . . 0.0 109.415 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 p -139.39 162.52 34.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.08 141.45 10.8 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 30' ' ' ALA . 6.7 tp -61.15 -15.19 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -1.156 . . . . 0.0 109.478 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -73.34 18.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.84 126.17 11.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.251 -0.905 . . . . 0.0 109.474 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.98 -25.48 4.63 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -82.82 144.81 29.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -1.103 . . . . 0.0 109.495 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -144.54 162.7 35.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 0.0 109.54 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -129.18 149.5 50.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 67' ' ' ARG . 18.7 t -102.79 129.05 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -115.07 147.17 40.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.334 -0.854 . . . . 0.0 109.404 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -123.96 137.56 54.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.491 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -118.25 133.75 55.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.444 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 1.4 p -94.34 157.75 36.91 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -56.72 -11.83 7.7 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.82 2.347 . . . . 0.0 112.199 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -83.99 -4.87 59.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.454 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.28 -3.71 85.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -76.58 141.25 41.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -1.148 . . . . 0.0 109.511 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -92.35 144.05 25.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.917 . . . . 0.0 109.442 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -128.43 154.17 46.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.517 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 47' ' ' SER . 5.1 ptm180 -159.23 66.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 109.492 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.48 ' OG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 166.27 119.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 109.452 -178.572 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.711 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 26.3 tttt -45.77 -54.15 17.35 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.482 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.711 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 14.3 Cg_endo -57.29 -22.96 51.8 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.824 2.349 . . . . 0.0 112.273 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -75.83 -52.2 10.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.554 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.32 -44.56 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.94 . . . . 0.0 109.58 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.76 71.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.271 -0.893 . . . . 0.0 109.537 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.602 HH11 ' HG3' ' A' ' 53' ' ' ARG . 23.2 ttm-85 -61.91 -38.03 86.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 0.0 109.609 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.88 -48.9 72.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.58 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.89 -28.48 66.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 0.0 109.57 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.61 -131.9 26.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -105.44 36.35 2.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -1.176 . . . . 0.0 109.507 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.0 -22.46 17.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 109.374 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.59 151.16 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.304 -0.872 . . . . 0.0 109.419 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 42.5 p-10 -100.1 117.22 33.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.0 mp -99.93 15.08 28.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.485 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.6 p -57.15 -37.5 72.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 109.472 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.64 6.87 47.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 109.519 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -98.75 116.28 30.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 0.0 109.486 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 69' ' ' GLY . 89.4 m-20 -98.1 103.8 15.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 109.472 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 6.4 p90 -64.37 -41.0 96.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 0.0 109.474 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 11.5 ptp180 -56.58 -22.74 35.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.463 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 p -120.52 -10.79 9.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 0.0 109.538 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 57.08 35.59 70.24 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -126.61 159.24 34.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.505 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.446 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -76.21 169.95 17.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -1.137 . . . . 0.0 109.513 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -136.72 148.36 47.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.461 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.31 148.83 51.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 0.0 109.488 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -77.17 119.96 79.64 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.273 -0.892 . . . . 0.0 109.491 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.28 -50.9 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.889 2.393 . . . . 0.0 112.235 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 -28.51 8.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.0 109.521 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mt -69.94 148.18 96.18 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 62.1 Cg_exo -39.19 152.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 43.6 Cg_exo -54.32 147.98 43.7 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.829 2.353 . . . . 0.0 112.265 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.69 -26.81 7.78 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.622 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 15.9 m95 -63.69 135.75 56.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -1.191 . . . . 0.0 109.458 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.07 151.52 51.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -0.982 . . . . 0.0 109.506 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -138.36 144.92 40.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 0.0 109.557 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 12.9 tm-20 -127.65 169.53 13.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 82.6 tt0 -128.81 108.82 10.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 109.424 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.543 HG23 ' OE1' ' A' ' 20' ' ' GLU . 87.0 t -94.58 128.52 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.469 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 81.7 mt -107.21 139.11 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ILE . 23.2 mmt180 -42.14 114.46 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.447 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -81.47 -29.14 33.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.232 -0.918 . . . . 0.0 109.472 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -133.81 159.17 41.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.494 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.22 142.07 11.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 30' ' ' ALA . 7.8 tt -65.53 -16.05 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -1.175 . . . . 0.0 109.47 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -71.16 23.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.394 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.59 130.72 32.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 109.475 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.94 -29.55 3.91 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.41 139.08 37.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.157 . . . . 0.0 109.451 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -136.51 157.02 47.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.534 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.94 144.9 51.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.89 . . . . 0.0 109.486 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 67' ' ' ARG . 22.0 t -105.93 126.19 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 0.0 109.505 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.49 152.9 24.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.539 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 92.3 m-85 -130.26 144.53 51.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 0.0 109.458 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.04 136.07 54.01 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.446 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.622 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -93.08 164.62 20.89 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.854 . . . . 0.0 109.422 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.26 -17.93 62.44 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.899 2.4 . . . . 0.0 112.205 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.4 p -86.5 -6.57 58.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.269 -0.894 . . . . 0.0 109.495 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.68 73.6 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -75.3 134.94 40.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -1.156 . . . . 0.0 109.469 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -104.54 145.48 30.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.309 -0.869 . . . . 0.0 109.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.791 ' CD1' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -143.49 -177.35 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.0 109.559 178.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.9 ttp180 -169.67 86.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 154.26 138.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.791 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tttm -57.07 -49.46 93.86 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 0.0 109.517 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 21.5 Cg_endo -60.44 -29.3 88.42 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.807 2.338 . . . . 0.0 112.368 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -74.53 -44.8 49.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.571 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 45' ' ' PHE . 96.1 mt -65.75 -43.0 90.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 109.577 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.45 72.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.555 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -66.22 -37.43 85.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.38 -47.99 52.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.214 -0.929 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD21 ' CH2' ' A' ' 17' ' ' TRP . 4.3 mm? -64.64 -24.44 67.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.604 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.17 -179.71 5.47 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' VAL . 98.4 m-20 -64.26 -25.45 68.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -1.116 . . . . 0.0 109.491 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.36 -26.44 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.0 109.425 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' ASN . 61.9 t -143.17 144.52 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' C ' HD12 ' A' ' 61' ' ' LEU . 42.8 t0 -108.21 120.61 42.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.55 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.845 ' N ' HD12 ' A' ' 61' ' ' LEU . 5.4 mp -95.8 20.11 10.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.204 -0.935 . . . . 0.0 109.457 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -58.17 -42.67 86.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.94 8.4 4.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.438 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CZ ' ' HA2' ' A' ' 69' ' ' GLY . 36.1 t80 -96.3 122.23 38.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.459 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 66' ' ' PHE . 71.0 m-20 -70.34 -92.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.439 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.539 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 5.0 t80 163.65 -69.08 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.7 mtm180 -69.61 -40.48 76.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.186 -0.946 . . . . 0.0 109.452 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 69' ' ' GLY . 12.9 p -94.44 1.75 55.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 34.41 48.63 0.65 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -109.57 170.17 8.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -1.15 . . . . 0.0 109.518 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.205 -0.934 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.0 139.0 32.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 0.0 109.485 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -142.19 152.94 43.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.0 109.461 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 51.6 p-10 -75.22 156.31 35.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.448 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.03 120.15 35.84 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.204 -0.935 . . . . 0.0 109.421 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.36 -25.12 15.8 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.757 2.305 . . . . 0.0 112.241 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.92 -18.09 54.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 0.0 109.462 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 48.6 mt -111.69 143.22 28.15 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.0 109.483 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -41.03 160.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.785 2.323 . . . . 0.0 112.231 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 129.85 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.864 2.376 . . . . 0.0 112.24 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.53 -32.07 6.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.898 ' CH2' HD11 ' A' ' 51' ' ' LEU . 63.9 m95 -60.23 135.73 57.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.207 -1.172 . . . . 0.0 109.47 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.79 154.03 47.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.281 -0.887 . . . . 0.0 109.53 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -138.74 146.35 41.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -125.37 158.84 33.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -129.37 112.4 13.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.473 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.1 t -109.23 132.56 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 83.4 mt -102.3 128.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.192 -0.942 . . . . 0.0 109.474 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HG2' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -44.16 111.15 0.26 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.868 . . . . 0.0 109.513 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -92.15 -23.19 19.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.49 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -102.6 131.66 49.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.269 -0.895 . . . . 0.0 109.511 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.93 138.78 8.75 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.9 tp -59.89 -28.17 67.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.282 -1.128 . . . . 0.0 109.514 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 p -61.72 24.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.81 138.42 29.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 0.0 109.44 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.58 -25.44 4.76 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -70.35 129.39 39.16 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -1.148 . . . . 0.0 109.421 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -117.89 144.55 45.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.527 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -126.21 142.32 51.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.181 -0.95 . . . . 0.0 109.394 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.89 128.71 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.933 . . . . 0.0 109.57 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -112.05 151.23 29.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 109.449 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.51 132.96 54.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -119.0 135.56 54.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.444 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -82.04 166.21 38.48 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.419 179.308 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.0 Cg_endo -58.66 -26.04 77.71 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.895 2.397 . . . . 0.0 112.146 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -74.88 -29.02 60.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.272 -0.892 . . . . 0.0 109.438 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.19 7.82 16.07 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.31 142.82 45.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -1.098 . . . . 0.0 109.484 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.61 135.51 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.877 . . . . 0.0 109.504 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -131.57 162.75 29.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 0.0 109.438 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -148.87 121.41 8.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.515 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.6 m 99.44 144.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.9 . . . . 0.0 109.479 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.814 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 1.6 ttpm? -56.85 -49.12 95.67 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.524 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.814 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.4 Cg_endo -51.93 -32.19 46.53 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.85 2.367 . . . . 0.0 112.261 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -73.07 -52.0 15.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.299 -0.876 . . . . 0.0 109.609 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -65.58 -43.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.897 . . . . 0.0 109.505 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' HA ' HD21 ' A' ' 55' ' ' LEU . . . -53.13 -42.2 65.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 0.0 109.563 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.714 ' CG ' HH11 ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.01 -36.31 82.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 0.0 109.601 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.66 -53.9 44.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.481 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLY . 2.8 pp -69.58 -21.35 63.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 55' ' ' LEU . . . 67.27 -128.83 28.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -106.15 34.67 3.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -1.142 . . . . 0.0 109.512 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.85 18.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.227 -0.92 . . . . 0.0 109.451 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.54 149.84 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.511 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' C ' HD12 ' A' ' 61' ' ' LEU . 48.3 t0 -98.43 117.26 32.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.929 . . . . 0.0 109.485 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 55' ' ' LEU . 10.8 mp -105.5 18.99 21.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.398 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 t -55.38 -43.6 75.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.46 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.546 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -86.55 25.52 1.22 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -95.84 122.06 38.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 109.524 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.777 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.5 t0 -97.84 115.3 27.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' ARG . 75.6 t80 -54.55 -47.4 73.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.923 . . . . 0.0 109.439 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.1 tpm_? -38.41 -45.3 1.01 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.6 p -139.99 -38.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.0 109.521 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.777 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 94.08 74.86 1.27 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 63' ' ' CYS . 10.3 ptpp? -114.32 165.58 12.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -1.126 . . . . 0.0 109.471 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.0 ttm . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.486 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.45 143.88 29.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -1.145 . . . . 0.0 109.514 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -142.16 152.15 42.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.972 . . . . 0.0 109.468 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -73.88 154.68 39.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 109.478 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 t -115.16 131.38 23.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.0 109.415 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -71.97 -22.77 22.68 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.783 2.322 . . . . 0.0 112.264 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -81.15 -28.64 34.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 3.0 mm? -102.39 152.23 38.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.0 165.96 15.4 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.346 . . . . 0.0 112.193 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.64 126.69 20.36 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.845 2.363 . . . . 0.0 112.209 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -35.84 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 64.0 m95 -67.53 140.27 56.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.462 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.49 154.79 45.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.428 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.772 ' HZ2' HG13 ' A' ' 35' ' ' VAL . 26.7 tttp -127.92 137.82 52.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -128.74 150.5 50.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.0 109.469 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -129.73 122.66 29.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.4 131.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.427 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.95 129.79 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 109.478 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.676 ' HG2' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -48.13 110.77 0.36 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.931 . . . . 0.0 109.434 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -90.78 -19.27 23.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.47 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 p -106.19 132.86 51.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.908 . . . . 0.0 109.455 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.97 140.76 8.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 57.4 tp -66.81 -33.3 75.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -1.177 . . . . 0.0 109.474 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -60.36 26.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 0.0 109.521 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.71 143.61 3.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.192 -0.942 . . . . 0.0 109.48 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.34 -24.27 5.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -77.16 133.21 39.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.217 -1.166 . . . . 0.0 109.468 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -132.25 153.95 50.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 51.4 t0 -127.47 146.58 50.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.91 . . . . 0.0 109.409 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.772 HG13 ' HZ2' ' A' ' 19' ' ' LYS . 40.2 t -107.0 130.47 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 109.529 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -116.03 146.54 42.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.516 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -119.13 131.15 55.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 0.0 109.458 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -114.57 132.34 56.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.279 -0.888 . . . . 0.0 109.505 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.451 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -100.28 159.94 28.39 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.436 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.95 -15.45 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.784 2.323 . . . . 0.0 112.257 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.99 -2.89 46.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.515 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 0.84 88.11 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.03 142.25 36.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.411 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.46 144.45 25.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 41.6 m-85 -124.46 144.71 49.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.278 -0.889 . . . . 0.0 109.464 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' SER . 7.9 ptm180 -147.46 63.1 1.15 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.17 -0.956 . . . . 0.0 109.483 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER 164.63 115.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 -178.142 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.771 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 3.1 tmmm? -44.43 -50.61 22.4 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 109.465 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.771 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 19.0 Cg_endo -57.44 -24.43 60.97 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.35 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -73.98 -53.48 9.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.619 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.83 -46.49 87.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.87 . . . . 0.0 109.546 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.48 -41.75 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.911 . . . . 0.0 109.58 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 53' ' ' ARG . 49.2 ttm-85 -64.34 -39.51 94.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.662 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.22 -49.84 74.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.532 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 55' ' ' LEU . 98.2 mt -64.33 -24.15 67.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.507 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.94 36.25 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -104.74 32.68 3.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -1.151 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.88 -22.66 16.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 t -145.45 149.97 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 109.453 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 44.7 p-10 -103.3 119.46 38.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.506 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.7 mp -107.05 14.93 25.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -62.76 -43.54 98.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.2 m -76.56 -27.24 55.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 48.4 t80 -66.77 129.39 39.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.463 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 91.8 m-20 -82.98 -170.41 3.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.0 109.438 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -130.94 -53.53 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.672 ' HG2' HH11 ' A' ' 67' ' ' ARG . 1.6 mmt-85 -61.11 -42.72 99.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.43 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 23.5 p -104.68 -2.3 25.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.897 . . . . 0.0 109.471 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.34 35.08 14.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' H ' ' HB2' ' A' ' 65' ' ' ASP . 95.7 mttt -113.44 161.87 16.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -1.193 . . . . 0.0 109.459 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.417 -179.736 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.16 163.38 27.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -1.166 . . . . 0.0 109.489 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -140.23 148.59 41.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.468 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 55.8 p-10 -75.55 153.78 37.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -119.28 117.16 33.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.68 -24.72 15.51 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.847 2.364 . . . . 0.0 112.251 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.51 -17.45 48.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.299 -0.876 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 12' ' ' ALA . 9.2 mp -111.1 149.03 39.9 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.283 -0.885 . . . . 0.0 109.463 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -42.7 144.02 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.837 2.358 . . . . 0.0 112.168 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.14 124.02 10.96 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.778 2.318 . . . . 0.0 112.196 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.94 -31.07 5.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.556 ' CZ3' HD21 ' A' ' 51' ' ' LEU . 42.5 m95 -60.57 136.87 58.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -1.186 . . . . 0.0 109.483 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -127.78 150.52 49.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.464 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.83 141.71 49.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 52.0 tp10 -121.31 156.14 33.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 80.8 tt0 -127.47 111.32 13.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.524 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.42 129.38 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 84.3 mt -106.3 145.04 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.464 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' ILE . 24.1 mmt180 -42.36 114.62 0.59 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.261 -0.9 . . . . 0.0 109.491 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.97 -30.58 31.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.2 t -128.64 153.57 47.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.48 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 137.93 8.2 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.922 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.01 -34.89 78.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.195 -1.18 . . . . 0.0 109.475 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -61.01 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.551 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.692 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -51.32 147.05 6.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.202 -0.936 . . . . 0.0 109.48 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.23 -26.84 4.63 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -79.94 139.61 37.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.43 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -138.89 158.77 43.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.534 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 67.5 t0 -127.91 145.18 51.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 61.2 t -103.45 126.34 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 -178.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -111.46 148.04 33.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.456 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.481 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 94.7 m-85 -122.54 134.7 54.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.908 . . . . 0.0 109.476 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.58 131.51 56.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.537 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.519 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -101.74 171.01 5.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 109.469 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.63 -24.12 43.75 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.193 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -80.12 2.37 24.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.257 -0.902 . . . . 0.0 109.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.0 6.05 63.21 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 44' ' ' LYS . 27.1 tptp -76.43 141.17 41.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.178 . . . . 0.0 109.452 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 9.5 ttmm -93.98 142.99 26.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.54 160.51 35.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.8 ttp180 -148.91 123.32 9.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.736 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 13.2 p 94.35 151.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.457 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.837 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 18.2 tttm -63.8 -48.41 79.37 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.837 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.1 Cg_endo -53.03 -33.99 65.58 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.827 2.351 . . . . 0.0 112.323 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -73.63 -49.65 25.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 109.564 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.583 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.491 178.749 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.76 78.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.536 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HH11 ' A' ' 53' ' ' ARG . 54.6 ttt-85 -63.73 -39.15 93.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -64.13 -47.49 79.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.534 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.5 mt -71.69 -29.19 64.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.634 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.21 -172.13 38.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 59' ' ' VAL . 43.5 t30 -62.47 -25.99 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -1.139 . . . . 0.0 109.503 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.7 -25.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.915 . . . . 0.0 109.447 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 57' ' ' ASN . 4.1 t -140.27 139.88 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -102.48 118.38 36.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.508 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mp -102.7 21.61 15.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 p -60.62 -41.94 95.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.339 -0.851 . . . . 0.0 109.492 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.7 m -92.57 -9.36 41.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -68.83 119.01 12.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.5 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -90.92 92.15 8.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.445 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 27.7 p90 -59.79 -44.29 94.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.614 ' CA ' ' HE ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -42.15 -40.39 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 p -99.46 -24.14 14.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.82 -8.59 79.59 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -150.39 138.69 20.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.517 179.078 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -82.94 136.22 34.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -1.128 . . . . 0.0 109.498 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.8 p -141.42 149.43 41.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.256 -0.902 . . . . 0.0 109.436 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -75.7 151.03 37.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.446 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.5 m -112.04 122.04 37.9 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -74.94 -29.57 8.2 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.834 2.356 . . . . 0.0 112.244 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -13.2 59.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 109.456 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 15.9 mt -116.5 145.58 35.56 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.494 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.8 Cg_exo -40.18 153.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.819 2.346 . . . . 0.0 112.243 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.0 Cg_exo -50.44 126.93 18.97 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.757 2.305 . . . . 0.0 112.247 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.07 -31.5 5.83 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 22.4 m95 -58.43 133.48 55.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -1.125 . . . . 0.0 109.403 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -131.21 156.02 46.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.4 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -140.43 149.2 42.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -120.54 153.51 36.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.42 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -127.55 111.41 13.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.15 129.75 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 109.407 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.42 125.65 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.484 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -48.51 106.37 0.1 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 0.0 109.499 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.97 -19.18 21.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.436 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -101.17 132.02 46.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.493 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.36 144.15 12.39 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 30' ' ' ALA . 58.8 tp -63.77 -22.36 66.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -1.159 . . . . 0.0 109.417 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -64.11 24.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.872 . . . . 0.0 109.429 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.656 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.62 132.43 13.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.485 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.57 -25.6 4.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -79.53 135.6 36.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -1.139 . . . . 0.0 109.424 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.5 p -138.43 157.99 45.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -128.33 147.81 50.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.5 t -109.81 129.39 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 109.541 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.44 148.84 32.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.501 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 72.8 m-85 -124.14 137.94 54.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.42 139.51 53.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.139 -0.976 . . . . 0.0 109.478 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -111.55 171.46 4.32 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.0 109.44 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.58 -23.23 10.51 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.834 2.356 . . . . 0.0 112.199 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.7 m -78.06 -5.55 51.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.454 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.86 3.49 64.03 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 45' ' ' PHE . 27.1 tptp -73.65 140.22 45.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.194 -1.18 . . . . 0.0 109.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.83 137.87 34.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.273 -0.892 . . . . 0.0 109.447 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 43' ' ' LYS . 54.2 m-85 -129.8 164.16 24.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.752 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.0 mtm180 -144.08 119.3 10.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 109.405 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.752 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 4.5 t 96.51 155.67 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 109.492 177.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.863 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 32.2 ttpt -62.92 -46.87 87.6 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.863 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 11.3 Cg_endo -54.32 -31.93 69.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.317 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -74.01 -54.22 8.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.797 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.1 tt -66.37 -41.13 89.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.518 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.14 64.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 109.573 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HH11 ' A' ' 53' ' ' ARG . 80.0 mtt-85 -63.98 -34.19 77.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.641 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.0 -50.54 70.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.538 ' CD1' HD21 ' A' ' 51' ' ' LEU . 98.0 mt -66.74 -24.44 66.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.575 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.73 -131.06 31.35 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.78 32.99 3.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -1.14 . . . . 0.0 109.481 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.12 -21.6 17.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.493 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.88 147.93 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.0 109.471 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -103.97 120.83 41.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 32.2 mt -114.11 20.59 15.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.9 m -84.25 -40.47 18.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.44 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.48 -44.65 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.384 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CG ' ' N ' ' A' ' 65' ' ' ASP . 94.1 t80 -106.65 164.42 12.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.444 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 64' ' ' PHE . 76.7 m-20 -78.58 -117.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 8.2 p90 -178.45 -17.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.179 -0.951 . . . . 0.0 109.485 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.69 ' CB ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -45.44 -40.81 8.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.539 -179.47 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.95 -37.55 5.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.869 . . . . 0.0 109.47 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.83 2.38 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -105.44 164.94 11.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -1.123 . . . . 0.0 109.423 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.452 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.0 169.36 17.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.491 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -139.08 150.46 45.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.435 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.61 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 56.3 t0 -80.34 158.93 25.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 0.0 109.51 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.61 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -100.11 120.52 56.54 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 109.413 178.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.9 -25.91 13.81 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.797 2.332 . . . . 0.0 112.228 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.546 ' HB1' ' SD ' ' A' ' 71' ' ' MET . . . -100.75 -42.82 6.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.915 . . . . 0.0 109.478 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.8 153.96 91.2 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.499 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -39.47 136.99 1.0 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.793 2.328 . . . . 0.0 112.155 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.8 126.16 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.832 2.355 . . . . 0.0 112.185 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.43 -32.08 5.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.463 ' CH2' HD11 ' A' ' 51' ' ' LEU . 37.5 m95 -57.28 132.59 53.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -1.144 . . . . 0.0 109.494 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -119.83 145.31 46.75 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.449 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -126.79 138.4 53.35 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.544 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -122.6 145.25 48.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.41 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -127.24 113.02 15.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.497 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.7 131.85 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.941 . . . . 0.0 109.409 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.9 mt -99.74 128.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 109.483 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -51.11 108.08 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.0 109.494 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 24.8 pttm -92.85 -13.53 28.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.885 . . . . 0.0 109.444 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -100.65 130.93 46.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 0.0 109.512 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.82 142.41 11.04 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.665 ' C ' ' H ' ' A' ' 30' ' ' ALA . 8.5 tp -66.39 -28.37 68.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -1.171 . . . . 0.0 109.486 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.6 t -62.71 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.665 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.16 143.98 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.483 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.31 -22.88 5.25 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.88 134.87 35.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -1.151 . . . . 0.0 109.469 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.6 p -136.5 157.14 47.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.569 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -125.16 144.7 50.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.0 109.392 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -112.98 131.02 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.314 -0.866 . . . . 0.0 109.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -115.31 148.22 39.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -120.77 134.11 55.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.59 131.47 56.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -0.845 . . . . 0.0 109.473 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -103.41 170.84 5.73 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.284 -0.885 . . . . 0.0 109.459 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.12 -28.13 68.65 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.821 2.347 . . . . 0.0 112.257 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -72.46 -2.29 18.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.6 1.51 66.25 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.06 141.92 41.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -1.138 . . . . 0.0 109.452 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.97 142.15 27.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 0.0 109.455 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -126.46 151.64 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.776 ' O ' ' CB ' ' A' ' 47' ' ' SER . 29.3 mtm180 -135.67 108.48 7.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.776 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 22.3 p 98.53 152.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.457 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.768 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.9 tttm -56.19 -52.16 75.1 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.902 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.768 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 6.0 Cg_endo -49.2 -31.01 20.68 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.38 . . . . 0.0 112.332 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' OE1' ' NH2' ' A' ' 53' ' ' ARG . 13.5 tp60 -72.27 -55.91 6.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 51' ' ' LEU . 5.5 tt -68.41 -41.74 80.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.0 109.483 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -48.24 -49.19 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 0.0 109.568 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NH2' ' OE1' ' A' ' 50' ' ' GLN . 86.2 mtm180 -59.51 -31.37 69.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.574 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.44 -51.12 68.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.525 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.29 -57.33 2.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 93.19 -108.55 3.68 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -91.49 -16.94 26.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -1.155 . . . . 0.0 109.533 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.13 33.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.42 137.13 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 109.436 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -97.19 115.09 26.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.883 . . . . 0.0 109.425 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.69 10.1 36.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.421 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -57.6 -42.76 83.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.281 -0.887 . . . . 0.0 109.521 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.7 13.82 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.95 . . . . 0.0 109.422 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 85.9 t80 -104.2 126.24 51.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 109.456 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.632 ' OD1' ' N ' ' A' ' 70' ' ' LYS . 5.3 p30 -91.71 -164.96 1.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 24.6 m-85 -127.59 -45.32 1.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.264 -0.898 . . . . 0.0 109.44 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HG3' ' NH1' ' A' ' 67' ' ' ARG . 4.5 mtm-85 -65.77 -41.43 92.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.505 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 70' ' ' LYS . 77.0 p -107.97 0.74 22.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.52 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 39.24 22.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.632 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 17.9 ttpt -81.92 164.19 21.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -1.132 . . . . 0.0 109.422 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.546 ' SD ' ' HB1' ' A' ' 12' ' ' ALA . 11.5 ttm . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.222 -0.923 . . . . 0.0 109.508 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.494 ' O ' ' OE2' ' A' ' 20' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -81.34 149.76 28.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 0.0 109.51 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -141.92 150.69 41.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -77.73 156.31 30.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.438 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 117.48 43.73 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.57 -25.6 24.66 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.355 . . . . 0.0 112.268 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.68 -10.04 59.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -0.923 . . . . 0.0 109.453 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.63 146.99 41.13 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 Cg_exo -40.34 149.8 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.865 2.377 . . . . 0.0 112.149 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.5 Cg_exo -49.37 122.5 8.72 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.823 2.349 . . . . 0.0 112.28 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.77 -30.91 5.16 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -59.8 133.63 56.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -1.132 . . . . 0.0 109.424 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -126.43 151.23 48.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.92 . . . . 0.0 109.44 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -142.99 147.97 36.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 109.499 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.607 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 5.2 tp10 -141.59 140.82 33.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.403 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 42.8 tt0 -107.9 127.11 53.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -0.911 . . . . 0.0 109.486 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.91 131.43 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.862 . . . . 0.0 109.404 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.3 mt -101.53 124.27 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.486 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 105.46 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.487 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -93.39 -15.83 25.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 109.46 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -97.7 131.09 44.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.497 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.35 146.0 17.86 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' A' ' 30' ' ' ALA . 11.4 tp -62.85 -15.7 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.412 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 23.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.424 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.585 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.38 130.45 13.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.248 -0.908 . . . . 0.0 109.529 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 -25.86 4.98 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 131.35 38.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.28 -1.13 . . . . 0.0 109.398 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 p -140.38 159.42 42.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 0.0 109.536 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 66.1 t0 -130.71 151.75 50.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.421 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.597 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 28.4 t -100.77 128.07 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 109.497 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -113.61 144.65 42.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.56 135.24 53.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.297 -0.877 . . . . 0.0 109.499 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.76 130.55 56.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.508 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.459 ' HG ' ' HE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -83.59 166.39 34.67 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.309 -0.87 . . . . 0.0 109.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.56 -34.12 61.29 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.805 2.336 . . . . 0.0 112.233 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -70.33 -29.64 66.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.39 9.97 14.11 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HZ2' ' HE1' ' A' ' 45' ' ' PHE . 48.6 tttm -74.3 143.66 44.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 0.0 109.513 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -97.52 141.21 30.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 109.476 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.645 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 27.8 m-85 -130.66 166.92 19.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 109.495 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.707 ' O ' ' CB ' ' A' ' 47' ' ' SER . 20.9 mtm180 -143.57 117.92 9.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.707 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 t 91.7 161.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.224 -0.923 . . . . 0.0 109.456 176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 18.8 tptm -69.13 -43.84 26.1 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.0 109.555 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 52.2 Cg_exo -49.77 -38.54 47.09 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.805 2.337 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.645 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 tm0? -73.85 -49.35 25.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 109.589 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.72 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.557 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . . . -55.65 -42.03 74.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -64.37 -39.08 93.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.598 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.0 -49.01 74.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.474 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.21 -25.64 64.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 58' ' ' ALA . . . 66.68 -177.45 17.86 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.73 37.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -1.153 . . . . 0.0 109.501 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 56' ' ' GLY . . . -87.71 -22.1 24.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 109.497 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -146.17 151.27 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 36.1 p-10 -88.44 109.77 20.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.517 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.5 mt -97.63 12.25 34.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -51.59 -36.8 47.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.481 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 70' ' ' LYS . 80.2 m -83.46 11.61 6.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 109.449 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.435 ' CD2' ' HA2' ' A' ' 69' ' ' GLY . 29.0 t80 -95.32 113.29 24.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.176 -0.953 . . . . 0.0 109.478 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.628 ' C ' ' HG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.37 71.45 0.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 0.0 109.433 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' A' ' 67' ' ' ARG . 91.4 m-85 55.51 -152.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.452 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.587 HH21 ' CB ' ' A' ' 21' ' ' GLU . 43.4 ttm-85 -34.51 -35.23 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.17 -0.956 . . . . 0.0 109.445 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.628 ' HG1' ' C ' ' A' ' 65' ' ' ASP . 21.7 p -60.09 -43.08 95.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 109.467 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 32.38 84.13 0.01 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 63' ' ' CYS . 70.1 mmtt -121.81 158.62 28.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -1.112 . . . . 0.0 109.432 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.07 140.45 29.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -1.166 . . . . 0.0 109.534 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -141.96 151.69 42.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.64 153.41 40.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.0 109.484 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -106.27 117.43 57.32 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.45 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.42 -29.12 9.64 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.777 2.318 . . . . 0.0 112.238 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.625 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -84.07 -6.04 59.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.93 . . . . 0.0 109.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 51' ' ' LEU . 10.0 mp -121.18 149.3 51.32 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -40.3 146.08 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.827 2.351 . . . . 0.0 112.167 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.09 124.62 11.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.375 . . . . 0.0 112.25 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -32.36 4.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 51' ' ' LEU . 30.8 m95 -60.17 135.67 57.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.268 -1.137 . . . . 0.0 109.45 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.57 154.17 46.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.858 . . . . 0.0 109.401 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -144.96 150.6 37.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.222 -0.923 . . . . 0.0 109.487 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -126.62 155.46 42.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.414 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -126.29 114.39 18.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -112.54 131.08 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.398 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.0 mt -102.9 135.92 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.898 . . . . 0.0 109.496 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.638 ' HG2' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -47.93 105.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.49 -179.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.72 -16.96 34.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 m -108.56 134.08 51.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 138.99 8.45 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.684 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.9 tp -70.08 -34.07 72.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.237 -1.155 . . . . 0.0 109.407 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ALA . 50.8 m -61.97 25.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.476 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.684 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.39 153.08 0.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.21 -21.68 5.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.04 133.28 33.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -1.117 . . . . 0.0 109.512 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.6 p -138.73 158.95 43.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 55.6 t0 -127.79 146.88 50.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 0.0 109.463 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 60.9 t -113.55 133.32 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 0.0 109.475 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -115.59 147.29 40.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.195 -0.941 . . . . 0.0 109.474 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -124.4 138.42 54.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.31 130.04 56.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -86.22 164.62 37.71 Favored Pre-proline 0 N--CA 1.489 1.484 0 O-C-N 121.3 -0.875 . . . . 0.0 109.451 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.65 -26.74 80.57 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.842 2.361 . . . . 0.0 112.206 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.7 p -72.91 -26.92 61.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.907 . . . . 0.0 109.491 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 1.19 26.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -72.38 141.35 48.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.217 -1.167 . . . . 0.0 109.523 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -98.67 141.09 31.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 36.6 m-85 -132.29 167.46 19.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.171 -0.956 . . . . 0.0 109.483 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.711 ' O ' ' CB ' ' A' ' 47' ' ' SER . 53.4 mtm180 -145.34 120.95 10.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.451 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 92.44 154.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.484 177.565 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.32 -41.37 41.72 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.935 . . . . 0.0 109.489 -177.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.5 Cg_exo -52.08 -33.6 54.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.765 2.31 . . . . 0.0 112.324 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.624 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.2 tm0? -77.53 -47.17 20.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 13' ' ' LEU . 28.7 tp -64.67 -43.72 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.531 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.64 74.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -37.2 86.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.278 -0.889 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -63.92 -48.05 78.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.548 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 61' ' ' LEU . 95.4 mt -67.7 -26.44 66.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 -132.2 26.95 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -106.64 35.0 3.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.244 -1.15 . . . . 0.0 109.424 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.8 -21.94 15.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.17 147.61 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.918 . . . . 0.0 109.41 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -105.65 120.35 41.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.452 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 55' ' ' LEU . 96.0 mt -102.35 16.59 25.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 t -61.55 -44.04 97.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.465 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.08 -31.42 62.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.891 . . . . 0.0 109.483 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -72.81 120.17 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.234 -0.916 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.2 t0 -98.33 109.75 22.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 109.551 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 29.6 p90 -64.81 -44.42 89.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.469 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 6.8 tpm_? -46.95 -42.24 17.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -109.33 -5.44 15.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 0.0 109.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 58.28 31.2 65.56 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -115.66 158.44 22.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 ttt . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.284 -0.885 . . . . 0.0 109.498 179.61 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.653 ' NH2' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -75.16 169.2 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -1.15 . . . . 0.0 109.504 -178.479 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' HH21 ' A' ' 7' ' ' ARG . 81.7 p -137.88 149.88 46.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.653 ' N ' ' NH2' ' A' ' 7' ' ' ARG . 22.2 t70 -71.44 146.03 48.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 0.0 109.437 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 t -121.84 116.97 30.02 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -70.26 -18.17 34.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.831 2.354 . . . . 0.0 112.262 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -77.18 -18.88 57.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 0.0 109.564 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' A' ' 17' ' ' TRP . 5.3 mp -117.59 148.78 43.68 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.43 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -41.74 153.91 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.786 2.324 . . . . 0.0 112.224 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -54.23 129.59 35.33 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.8 2.333 . . . . 0.0 112.215 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.02 -31.54 6.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CD2' HD23 ' A' ' 13' ' ' LEU . 40.0 m95 -56.56 135.97 54.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -1.156 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG2' HH11 ' A' ' 7' ' ' ARG . 52.9 mtmt -115.33 144.05 44.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE3' HG11 ' A' ' 35' ' ' VAL . 68.5 tttt -126.92 136.32 52.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.496 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -131.76 143.89 50.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.389 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 8.4 tm-20 -126.84 124.21 39.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.528 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -120.05 133.69 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.404 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.4 mt -100.47 136.56 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.604 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 15.2 mtt-85 -48.83 113.04 0.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 109.46 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -74.83 -2.42 26.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.503 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.727 ' O ' ' C ' ' A' ' 27' ' ' GLY . 4.2 p -81.22 -162.45 0.5 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.191 -0.943 . . . . 0.0 109.481 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.727 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -20.36 138.39 0.01 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.588 ' C ' ' H ' ' A' ' 30' ' ' ALA . 60.2 tp -64.14 -39.37 93.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -1.152 . . . . 0.0 109.448 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -59.66 6.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.484 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 24' ' ' ARG . . . -49.18 -75.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 0.0 109.45 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.4 -11.84 2.08 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 30' ' ' ALA . 10.6 mmmt -85.78 129.13 34.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.284 -1.127 . . . . 0.0 109.442 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 65.8 m -127.51 150.92 49.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.547 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -120.4 139.39 52.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.423 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 ' HE3' ' A' ' 19' ' ' LYS . 35.4 t -112.43 132.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 109.488 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -115.23 139.83 49.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.915 . . . . 0.0 109.495 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CD1' ' CE2' ' A' ' 66' ' ' PHE . 81.2 m-85 -120.91 135.32 55.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 109.498 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -116.68 133.3 56.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.216 -0.927 . . . . 0.0 109.482 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -105.7 166.05 12.01 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.278 -0.888 . . . . 0.0 109.424 179.482 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.2 Cg_endo -57.93 -18.22 34.18 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.852 2.368 . . . . 0.0 112.197 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.9 p -76.79 -16.29 59.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.428 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.74 -3.25 77.87 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.04 137.67 43.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -1.173 . . . . 0.0 109.543 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -93.97 138.38 32.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 109.454 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 45.6 m-85 -121.31 130.35 53.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.296 -0.877 . . . . 0.0 109.472 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -107.73 -3.09 19.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.391 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -152.17 152.36 32.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.286 -0.884 . . . . 0.0 109.459 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 17.9 ttpp -57.44 -50.79 86.14 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.536 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 4.6 Cg_endo -46.44 -31.09 9.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.917 2.411 . . . . 0.0 112.264 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -72.04 -52.6 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.518 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HH2' ' A' ' 17' ' ' TRP . 24.4 tp -65.78 -45.45 82.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.891 . . . . 0.0 109.573 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.5 -47.12 39.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.561 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.639 ' HG2' HH11 ' A' ' 53' ' ' ARG . 32.6 mtt-85 -63.62 -37.37 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.645 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -63.5 -51.99 63.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.11 -28.27 68.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 -146.31 40.33 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -93.05 40.51 1.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -1.136 . . . . 0.0 109.493 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.53 -19.69 13.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.477 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.27 143.69 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 109.404 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 38.3 p-10 -103.45 119.07 38.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.528 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.88 15.72 26.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.5 m -61.71 -43.59 98.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.49 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.9 m -71.21 -29.3 64.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 109.499 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 60.9 t80 -87.31 122.65 31.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.953 . . . . 0.0 109.477 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 69' ' ' GLY . 90.3 m-20 -104.94 131.26 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.468 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.642 ' CE2' ' CD1' ' A' ' 37' ' ' TYR . 3.5 m-85 -69.5 -40.28 77.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -53.81 -44.19 69.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.473 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.1 p -101.08 -18.31 16.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.438 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 59.9 37.55 92.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -133.09 161.36 34.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.3 -1.118 . . . . 0.0 109.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.6 ttm . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 179.749 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.656 ' HG2' HH11 ' A' ' 7' ' ' ARG . 1.2 ptt-85 -82.55 158.71 23.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -1.167 . . . . 0.0 109.537 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -141.67 151.88 43.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 109.429 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 38.7 t70 -75.69 158.0 32.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.232 -0.917 . . . . 0.0 109.487 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.2 116.9 58.64 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.185 -0.947 . . . . 0.0 109.456 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -74.23 -31.22 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.83 2.353 . . . . 0.0 112.255 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.691 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -80.54 -7.75 59.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 0.0 109.546 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 51' ' ' LEU . 10.9 mp -117.67 153.72 50.69 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.42 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -41.65 156.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.864 2.376 . . . . 0.0 112.177 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.11 120.77 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.769 2.313 . . . . 0.0 112.193 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.69 5.65 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.467 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 47.0 m95 -60.76 135.74 57.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -1.156 . . . . 0.0 109.465 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.41 152.52 47.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 9' ' ' ASP . 25.6 pttm -136.73 145.41 44.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.231 -0.918 . . . . 0.0 109.469 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -124.72 153.79 41.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 109.428 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -127.12 114.25 17.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 109.53 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -107.85 130.12 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 109.525 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.2 mt -99.0 120.56 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 105.14 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.355 -0.841 . . . . 0.0 109.453 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -100.09 -8.28 23.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.357 -0.84 . . . . 0.0 109.52 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -89.52 129.57 35.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.532 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 154.37 26.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 28' ' ' LEU . 3.1 tm? -64.07 -38.9 92.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -1.164 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -61.74 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.892 . . . . 0.0 109.465 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.06 142.46 16.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.83 -23.61 4.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -76.06 137.71 40.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.153 . . . . 0.0 109.449 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.601 ' CB ' HH22 ' A' ' 67' ' ' ARG . 61.2 p -135.36 156.29 49.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.465 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -130.76 152.22 50.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.331 -0.856 . . . . 0.0 109.434 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.89 131.72 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -115.27 150.35 36.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.917 . . . . 0.0 109.412 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -125.38 139.37 53.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -122.17 136.87 54.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.261 -0.9 . . . . 0.0 109.535 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.3 p -104.31 171.48 5.0 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 0.0 109.444 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.55 -23.35 64.42 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -73.08 -2.08 19.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.538 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.56 0.42 54.02 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 32.9 ttpt -73.88 142.72 46.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.287 -1.125 . . . . 0.0 109.551 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -91.05 138.59 31.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 57.0 m-85 -123.54 154.02 39.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 47' ' ' SER . 61.9 mtm180 -139.36 113.3 8.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.483 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.724 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 6.0 p 93.36 154.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.894 . . . . 0.0 109.461 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 26.2 tttt -61.74 -43.56 88.17 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.443 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 53.3 Cg_exo -48.53 -38.56 35.86 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.893 2.396 . . . . 0.0 112.275 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.629 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 34.8 tp60 -72.4 -51.31 20.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 13' ' ' LEU . 41.5 tp -63.94 -43.24 96.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.86 65.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.184 -0.947 . . . . 0.0 109.609 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.629 ' NH2' ' NE2' ' A' ' 50' ' ' GLN . 48.8 mtm-85 -62.26 -36.52 82.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.316 -0.865 . . . . 0.0 109.586 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.76 -51.41 62.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 61' ' ' LEU . 1.5 mp -63.85 -26.13 68.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.08 -137.09 35.54 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -107.27 35.59 3.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.63 -22.23 18.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' HB ' HD23 ' A' ' 55' ' ' LEU . 41.3 t -146.92 152.96 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -99.76 116.43 31.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 55' ' ' LEU . 95.7 mt -96.39 12.29 31.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -60.07 -43.08 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.32 13.64 5.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.51 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -112.13 125.15 53.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -80.39 -172.28 3.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.0 109.427 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 47' ' ' SER . 61.5 t80 -132.01 -56.12 0.98 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.524 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -59.85 -44.76 93.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 69' ' ' GLY . 24.5 p -101.76 1.09 36.91 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.287 -0.883 . . . . 0.0 109.479 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 35.33 78.25 0.04 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -145.65 167.78 22.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -1.089 . . . . 0.0 109.536 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.494 179.589 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.32 168.39 20.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -1.127 . . . . 0.0 109.507 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 p -141.11 150.24 42.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.883 . . . . 0.0 109.449 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -82.64 154.09 25.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.436 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 131.16 21.94 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.428 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -72.71 -24.53 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.86 2.374 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.08 -41.52 11.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.475 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.9 mm? -73.13 143.42 83.58 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.46 152.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.194 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -50.53 123.25 11.0 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.86 2.374 . . . . 0.0 112.198 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.82 -30.7 6.71 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 21.6 m95 -60.67 136.62 58.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -1.18 . . . . 0.0 109.462 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.58 152.09 42.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -135.2 144.16 46.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.476 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -132.02 148.94 52.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.443 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.9 122.83 35.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -113.34 130.83 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -101.09 132.14 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.205 -0.934 . . . . 0.0 109.45 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.04 106.93 0.22 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.536 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -91.61 -12.37 34.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.427 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -102.32 131.53 48.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.43 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.71 143.04 11.02 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.689 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.3 tp -70.26 -33.19 71.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -1.114 . . . . 0.0 109.487 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 30' ' ' ALA . 5.8 t -61.81 25.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.237 -0.914 . . . . 0.0 109.443 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.689 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.42 149.65 0.11 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.0 109.5 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.12 -21.2 5.54 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -80.67 125.84 30.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 0.0 109.492 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 m -132.1 154.69 49.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -0.918 . . . . 0.0 109.524 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -126.86 147.17 50.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 t -105.9 130.18 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.261 -0.899 . . . . 0.0 109.566 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -115.55 140.55 49.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 109.394 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -123.45 139.07 54.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -114.39 131.05 56.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.473 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.597 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -99.67 165.54 14.49 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.06 -19.6 49.56 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.807 2.338 . . . . 0.0 112.227 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -5.18 54.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 0.0 109.459 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.04 88.44 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.39 138.51 36.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.145 . . . . 0.0 109.49 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -99.58 147.1 25.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 0.0 109.419 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.58 156.37 34.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.549 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 64.2 mtm180 -132.63 109.35 9.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.431 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.1 p 91.35 158.79 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.937 . . . . 0.0 109.449 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.7 ttmt -62.32 -44.85 89.46 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.484 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.0 Cg_exo -48.43 -35.38 28.07 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.896 2.397 . . . . 0.0 112.262 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -78.46 -51.12 10.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.2 -43.33 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.557 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.19 -45.87 75.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.532 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -60.49 -33.55 72.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.556 -179.595 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.43 -51.63 62.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.2 mt -73.09 -34.18 66.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.591 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.78 -171.02 54.54 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' VAL . 66.3 m-20 -63.15 -22.57 66.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 0.0 109.436 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.3 -22.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.494 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.0 t -140.32 140.08 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.07 117.51 34.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.248 -0.908 . . . . 0.0 109.485 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.56 16.56 21.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.44 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -58.56 -44.02 89.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.49 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 70.2 m -86.19 11.35 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.928 . . . . 0.0 109.5 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -113.28 113.28 25.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -100.89 108.21 19.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.447 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CZ ' ' NH1' ' A' ' 67' ' ' ARG . 8.2 p90 -61.91 -34.56 76.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 109.401 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.785 ' HG2' HH11 ' A' ' 67' ' ' ARG . 1.7 mmt-85 -35.4 -47.81 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.173 -0.954 . . . . 0.0 109.511 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -124.38 12.3 8.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.912 . . . . 0.0 109.495 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.95 41.71 52.71 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.36 152.64 27.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.236 -1.155 . . . . 0.0 109.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttm . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.486 179.578 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.744 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.2 OUTLIER -81.91 164.61 21.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.295 -1.121 . . . . 0.0 109.552 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.3 p -137.21 147.6 45.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.209 -0.932 . . . . 0.0 109.449 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.41 153.32 38.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.557 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -69.89 129.52 90.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.317 -0.864 . . . . 0.0 109.467 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.64 -49.97 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.244 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 -28.45 8.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -0.929 . . . . 0.0 109.477 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.15 148.66 95.99 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.4 Cg_exo -41.2 147.3 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.84 2.36 . . . . 0.0 112.164 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 53.2 Cg_exo -52.44 127.32 23.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.814 2.343 . . . . 0.0 112.219 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.46 -35.23 3.81 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 39' ' ' SER . 71.7 m95 -62.52 138.9 58.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.414 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HD3' ' HE ' ' A' ' 7' ' ' ARG . 99.5 mttt -124.25 148.88 47.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.432 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -118.58 134.19 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -127.18 148.95 50.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.893 . . . . 0.0 109.477 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.22 118.46 21.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.0 109.476 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -115.18 133.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.48 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -100.78 129.46 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 109.476 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -55.53 114.35 1.81 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.472 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.49 -16.76 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.279 -0.888 . . . . 0.0 109.511 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -102.55 130.9 49.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.9 141.84 9.98 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.1 tp -61.12 -15.77 36.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.188 -1.184 . . . . 0.0 109.48 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -72.43 23.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.501 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -46.6 129.91 11.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.19 -0.944 . . . . 0.0 109.403 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.48 -23.89 5.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 134.29 39.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -1.148 . . . . 0.0 109.439 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 15.3 t -133.45 154.8 50.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -126.89 146.97 50.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' NH2' ' A' ' 67' ' ' ARG . 2.6 t -108.12 129.39 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.24 -0.913 . . . . 0.0 109.508 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -114.68 148.04 38.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.431 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -117.44 130.11 56.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.189 -0.945 . . . . 0.0 109.468 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.39 133.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -107.75 171.57 4.49 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.916 . . . . 0.0 109.497 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.59 -20.21 8.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.314 . . . . 0.0 112.23 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.1 p -78.54 -0.88 31.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.477 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.29 3.12 36.95 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -75.8 144.83 41.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -1.187 . . . . 0.0 109.557 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.54 140.02 29.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 109.418 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -125.67 146.52 49.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 47' ' ' SER . 4.8 ptm180 -149.24 68.59 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.417 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 157.61 118.08 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.479 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 24.3 ttpt -51.1 -43.06 84.02 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 109.553 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 32.5 Cg_exo -57.68 -30.15 87.9 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.867 2.378 . . . . 0.0 112.314 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -74.37 -53.96 8.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 109.569 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.3 tt -62.66 -44.37 96.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.99 61.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.233 -0.917 . . . . 0.0 109.567 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.93 -34.11 77.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.891 . . . . 0.0 109.581 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.54 -51.93 63.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.918 . . . . 0.0 109.57 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.8 mt -66.63 -21.7 66.12 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 109.606 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.4 -132.73 35.65 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -105.07 33.33 3.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 109.463 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.17 -23.75 16.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.481 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -144.3 147.33 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.487 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' C ' HD12 ' A' ' 61' ' ' LEU . 97.5 m-20 -98.67 115.91 29.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.0 109.485 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.3 mp -105.0 12.6 32.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.7 m -63.5 -43.89 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 0.0 109.433 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.17 -33.99 74.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.204 -0.935 . . . . 0.0 109.432 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.57 125.83 27.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.238 -0.914 . . . . 0.0 109.494 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -79.01 -159.49 0.19 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 109.457 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -135.14 -53.68 0.79 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.445 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NH1' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -68.89 -39.16 79.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 109.488 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.4 p -97.74 -12.48 22.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.96 44.55 32.13 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -117.5 157.54 26.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -1.129 . . . . 0.0 109.415 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.476 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' NH1' ' HD3' ' A' ' 18' ' ' LYS . 15.9 ttp180 -86.6 136.77 32.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -1.136 . . . . 0.0 109.509 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.4 p -141.93 152.2 43.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.236 -0.915 . . . . 0.0 109.406 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 53.5 p30 -75.99 157.68 32.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.442 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 13' ' ' LEU . 4.3 t -114.4 116.95 43.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.951 . . . . 0.0 109.423 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -72.31 -23.51 20.66 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.84 2.36 . . . . 0.0 112.231 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.19 -10.62 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 10' ' ' CYS . 5.4 mp -121.35 147.65 47.82 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 109.475 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -41.04 151.12 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.847 2.365 . . . . 0.0 112.139 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.8 125.62 14.78 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.856 2.37 . . . . 0.0 112.253 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.15 -32.19 4.64 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 13' ' ' LEU . 28.5 m95 -60.44 133.54 56.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -1.104 . . . . 0.0 109.408 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD3' ' NH1' ' A' ' 7' ' ' ARG . 20.7 mttp -130.37 156.27 45.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 0.0 109.471 -178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' NZ ' ' HA3' ' A' ' 69' ' ' GLY . 17.3 ptmt -148.27 152.57 37.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.0 109.484 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -126.69 158.07 37.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -127.32 115.31 18.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.59 131.8 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -102.94 133.01 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 0.0 109.418 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -61.41 107.25 0.75 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -94.82 -8.03 38.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.0 109.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -97.66 130.64 44.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.495 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 146.57 16.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.691 ' C ' ' H ' ' A' ' 30' ' ' ALA . 62.5 tp -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -1.18 . . . . 0.0 109.448 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.0 m -61.32 25.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.691 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.12 147.32 0.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.516 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.44 -21.75 5.37 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.06 125.44 30.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 0.0 109.51 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -132.05 154.29 49.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.926 . . . . 0.0 109.514 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 65.8 t0 -127.26 146.69 50.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.555 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 75.6 t -113.24 132.39 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 0.0 109.523 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.79 145.76 40.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.62 134.08 55.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.502 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -113.12 129.45 56.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.923 . . . . 0.0 109.528 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.68 161.57 26.16 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.457 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.16 -18.61 30.22 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.845 2.363 . . . . 0.0 112.244 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -81.37 -8.0 59.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.413 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 -2.14 81.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.11 137.71 40.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -1.149 . . . . 0.0 109.459 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.28 142.88 29.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.531 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.2 163.8 25.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 mtm180 -142.47 119.21 11.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 0.0 109.458 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.74 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.5 m 94.7 154.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.0 109.493 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.852 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -60.8 -48.01 94.14 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.529 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.852 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.9 Cg_endo -53.66 -29.91 53.25 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.79 2.327 . . . . 0.0 112.322 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 46' ' ' ARG . 9.6 tp-100 -76.04 -53.03 8.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.447 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.8 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.8 tt -64.81 -44.75 88.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.67 76.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.578 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.475 HH11 ' HG3' ' A' ' 53' ' ' ARG . 52.0 ttm-85 -62.41 -36.25 81.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 109.672 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.84 -47.25 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.555 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 55' ' ' LEU . 90.6 mt -75.39 -31.4 60.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.875 . . . . 0.0 109.625 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.16 -173.62 48.29 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' VAL . 83.3 m-20 -64.48 -23.73 67.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.98 -24.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.892 . . . . 0.0 109.406 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.1 t -140.57 140.41 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -107.41 120.66 42.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.547 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 5.3 mp -103.19 23.17 12.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 0.0 109.473 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.5 p -60.77 -35.71 77.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.453 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.7 t -82.05 10.9 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.421 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 65' ' ' ASP . 88.2 t80 -128.51 129.2 45.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.491 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 38.9 t0 -80.04 -149.47 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.728 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 33.0 p90 -157.71 -56.54 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.462 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.728 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 14.7 ptm180 -54.05 -32.51 54.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 109.448 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -108.88 -36.96 5.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.865 . . . . 0.0 109.458 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.403 ' HA3' ' NZ ' ' A' ' 19' ' ' LYS . . . 83.22 64.23 1.67 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -138.41 158.81 43.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.289 -1.124 . . . . 0.0 109.434 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.61 170.06 16.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 109.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -141.09 149.85 42.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.449 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.98 150.44 40.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.484 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 126.51 30.59 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 109.448 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.16 -31.16 7.99 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.803 2.336 . . . . 0.0 112.204 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.65 57.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 81.7 mt -110.56 144.61 30.57 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.427 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -41.66 159.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.809 2.339 . . . . 0.0 112.155 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.57 125.39 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.862 2.375 . . . . 0.0 112.246 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.63 -31.26 6.23 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.626 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 52.7 m95 -59.51 137.48 58.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.0 150.38 44.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.437 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -131.75 141.29 49.47 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -127.62 149.46 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.393 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -126.71 116.52 21.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.16 -0.963 . . . . 0.0 109.503 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.5 t -115.15 131.78 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.414 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.26 133.71 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.179 -0.951 . . . . 0.0 109.526 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -64.11 110.89 2.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 109.434 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' H ' ' CD ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.9 -6.19 39.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 30.8 t -98.16 129.53 44.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 0.0 109.494 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.76 16.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.697 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.8 tp -69.02 -32.37 71.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -1.153 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 30' ' ' ALA . 90.6 p -60.77 24.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.697 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.27 145.26 0.25 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.224 -0.922 . . . . 0.0 109.552 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.51 -20.84 5.48 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.66 128.8 34.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -1.14 . . . . 0.0 109.495 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.6 p -131.56 153.43 49.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -124.4 143.66 50.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.279 -0.888 . . . . 0.0 109.394 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.1 132.5 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -117.52 144.44 45.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.283 -0.886 . . . . 0.0 109.424 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -118.35 132.3 56.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -119.64 134.45 55.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.533 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.626 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -115.46 171.43 4.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.421 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.41 -33.61 57.5 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.839 2.359 . . . . 0.0 112.212 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -60.4 -16.6 37.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.81 -2.75 85.7 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 87.6 tttt -76.51 142.81 40.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -1.125 . . . . 0.0 109.496 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -90.13 137.6 32.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 74.7 m-85 -123.93 151.03 44.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 109.459 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.7 mtm180 -136.53 110.08 8.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 92.42 162.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.882 . . . . 0.0 109.494 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.53 -42.51 20.06 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 109.458 -178.092 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.7 Cg_exo -48.0 -39.34 32.78 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.879 2.386 . . . . 0.0 112.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 41.0 tt0 -78.93 -56.27 4.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 51' ' ' LEU . 8.5 tt -60.19 -19.47 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 0.0 109.552 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -76.22 -43.74 40.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.616 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.6 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 59.0 mtm-85 -61.11 -34.35 74.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.638 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -65.8 -52.48 50.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD11 ' CZ2' ' A' ' 17' ' ' TRP . 9.4 mp -62.68 -29.92 71.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.164 -0.96 . . . . 0.0 109.573 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.47 -139.64 37.73 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -100.1 34.46 2.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -1.177 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.86 -21.04 17.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.476 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -146.7 152.24 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.0 109.419 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.525 ' C ' HD12 ' A' ' 61' ' ' LEU . 40.9 t0 -104.72 119.75 39.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.169 -0.957 . . . . 0.0 109.483 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.5 mp -106.71 17.66 22.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 109.466 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -58.92 -41.74 88.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 109.499 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -87.16 30.26 0.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.95 121.39 44.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.33 167.77 20.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 16.5 m-85 -100.01 -55.8 2.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.721 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -76.77 -39.25 52.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.154 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 70' ' ' LYS . 30.7 p -93.98 -9.11 38.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 39.01 24.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 68' ' ' THR . 19.9 ttmt -94.46 167.63 11.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -1.156 . . . . 0.0 109.507 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.485 179.703 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -88.49 142.1 27.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -1.105 . . . . 0.0 109.523 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -141.79 154.62 45.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.78 152.43 42.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.136 -0.978 . . . . 0.0 109.439 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.0 121.21 48.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 0.0 109.463 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.86 -30.43 11.3 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.917 2.412 . . . . 0.0 112.267 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.93 -12.59 58.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 17' ' ' TRP . 9.5 mp -114.27 150.64 44.04 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 109.535 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.0 Cg_exo -42.88 154.9 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 112.21 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 42.0 Cg_exo -54.24 126.33 21.79 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.831 2.354 . . . . 0.0 112.268 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.83 -31.46 5.52 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CH2' ' CD2' ' A' ' 51' ' ' LEU . 51.5 m95 -59.88 139.25 57.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -1.149 . . . . 0.0 109.436 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.5 154.52 45.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HZ1' ' C ' ' A' ' 69' ' ' GLY . 14.6 ptpt -138.11 147.08 43.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -132.89 152.58 51.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -128.12 121.73 30.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.84 134.38 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.447 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -101.62 144.15 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 83.5 mtt180 -58.75 114.47 2.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.506 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -1.58 24.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.922 . . . . 0.0 109.457 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.806 ' O ' ' O ' ' A' ' 27' ' ' GLY . 4.1 t -80.02 -162.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.28 -0.887 . . . . 0.0 109.495 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' A' ' 26' ' ' SER . . . -16.91 138.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -175.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.715 ' C ' ' H ' ' A' ' 30' ' ' ALA . 56.2 tp -63.81 -37.87 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.225 -1.162 . . . . 0.0 109.446 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -55.78 9.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.26 -0.9 . . . . 0.0 109.433 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.715 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.5 -80.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.257 -0.902 . . . . 0.0 109.493 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 -17.01 0.21 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.596 ' H ' ' C ' ' A' ' 30' ' ' ALA . 98.4 mttt -81.34 130.28 34.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -1.149 . . . . 0.0 109.51 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.2 p -123.11 147.49 46.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.0 109.473 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.57 134.81 54.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.885 . . . . 0.0 109.455 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.03 130.48 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.44 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -116.41 144.62 44.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 109.441 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -117.3 129.85 56.16 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 109.501 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.89 128.84 55.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.152 -0.968 . . . . 0.0 109.503 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -112.33 167.72 8.73 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.405 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 17.2 Cg_endo -56.8 -20.43 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.859 2.373 . . . . 0.0 112.18 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.2 -17.29 61.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.424 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.26 -2.45 88.15 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.35 141.48 36.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.514 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -88.84 138.29 31.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.462 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -126.54 155.37 42.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' SER . 1.5 ptm180 -160.57 78.98 0.64 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 158.45 117.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.47 -179.234 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.688 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.7 tttp -43.31 -54.72 9.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.512 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.688 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 15.6 Cg_endo -56.75 -23.71 51.34 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.861 2.374 . . . . 0.0 112.275 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -73.38 -51.79 16.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 109.592 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' ' CH2' ' A' ' 17' ' ' TRP . 20.8 mt -64.03 -44.65 91.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 0.0 109.521 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.13 -41.55 60.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.582 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.696 ' CG ' HH11 ' A' ' 53' ' ' ARG . 2.0 ttt-85 -66.51 -38.7 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.71 -52.32 61.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.497 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 61' ' ' LEU . 97.5 mt -63.47 -23.01 67.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.557 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.81 -135.38 35.31 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.94 33.87 2.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -1.155 . . . . 0.0 109.535 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.52 -22.89 13.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.399 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HB ' HD13 ' A' ' 55' ' ' LEU . 88.4 t -141.85 142.99 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.302 -0.874 . . . . 0.0 109.493 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -101.72 118.92 37.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.488 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 55' ' ' LEU . 94.3 mt -107.1 18.6 21.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.487 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.86 31.97 0.61 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.432 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -110.18 123.76 50.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.0 109.449 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.43 -179.4 7.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.47 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -118.2 -55.54 2.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.697 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -52.1 -44.44 64.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.403 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.605 ' O ' ' C ' ' A' ' 69' ' ' GLY . 67.8 p -113.37 10.72 18.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.45 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 30.42 47.26 0.13 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' THR . 8.9 tptp -104.12 170.52 7.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -1.175 . . . . 0.0 109.463 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 109.442 179.624 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 HH21 ' HB2' ' A' ' 18' ' ' LYS . 75.8 mtp180 -75.16 155.54 36.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -1.136 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -140.88 146.01 36.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.152 -0.968 . . . . 0.0 109.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -76.41 160.29 29.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.56 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -107.94 114.83 59.58 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 109.458 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.32 -30.64 93.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.8 2.334 . . . . 0.0 112.219 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.84 -13.5 57.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.91 HD23 ' CD2' ' A' ' 17' ' ' TRP . 10.8 mp -113.34 154.29 45.39 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.0 109.472 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.68 156.18 19.46 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.864 2.376 . . . . 0.0 112.191 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.55 125.73 14.62 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.841 2.36 . . . . 0.0 112.228 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.48 -33.02 4.29 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.91 ' CD2' HD23 ' A' ' 13' ' ' LEU . 37.1 m95 -63.61 133.48 53.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.26 -1.141 . . . . 0.0 109.483 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB2' HH21 ' A' ' 7' ' ' ARG . 68.3 mttm -137.4 160.93 37.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.513 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -148.86 154.91 40.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 6' ' ' GLY . 52.8 tp10 -140.12 138.41 35.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -102.33 127.05 49.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.219 -0.926 . . . . 0.0 109.544 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.0 133.45 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.311 -0.868 . . . . 0.0 109.411 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 97.2 mt -103.31 141.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.456 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' ILE . 21.8 mmt180 -42.51 119.83 1.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 0.0 109.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -32.94 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.489 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 m -128.19 153.74 46.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.513 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 142.48 9.23 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.7 tp -65.04 -32.39 74.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -1.14 . . . . 0.0 109.529 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -62.81 24.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.925 . . . . 0.0 109.496 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.682 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.72 133.86 20.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 109.472 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.62 -24.61 4.88 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -69.25 126.09 28.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.233 -1.157 . . . . 0.0 109.412 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 3.7 p -119.78 146.0 46.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -176.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -125.98 143.69 50.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.26 -0.9 . . . . 0.0 109.395 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.64 129.13 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 0.0 109.576 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.78 146.8 36.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 7.9 m-85 -122.1 135.82 54.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 109.442 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.86 135.02 55.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.501 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.631 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -95.93 166.41 14.49 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 20.4 Cg_endo -60.57 -15.81 38.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.817 2.345 . . . . 0.0 112.246 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.5 p -81.06 -6.03 58.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.35 -4.11 85.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.91 142.88 39.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -1.145 . . . . 0.0 109.517 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -98.14 146.31 25.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.73 167.91 20.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.2 ttp180 -163.06 83.64 0.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.935 . . . . 0.0 109.443 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 155.95 124.29 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.333 -0.854 . . . . 0.0 109.449 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.785 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -49.54 -49.29 72.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.902 . . . . 0.0 109.479 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.785 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 24.5 Cg_endo -61.74 -24.54 77.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.827 2.351 . . . . 0.0 112.262 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.55 -49.86 36.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.917 . . . . 0.0 109.56 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.8 mp -65.64 -42.08 91.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 0.0 109.553 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.54 -44.41 65.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.307 -0.871 . . . . 0.0 109.546 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.717 ' HG2' HH11 ' A' ' 53' ' ' ARG . 18.7 mtt-85 -67.11 -35.64 80.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.887 . . . . 0.0 109.583 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.36 -50.93 61.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -0.894 . . . . 0.0 109.506 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.71 -24.91 62.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.913 . . . . 0.0 109.615 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.11 -132.9 31.0 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ALA . 97.2 m-20 -96.73 -22.04 17.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -1.134 . . . . 0.0 109.45 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -43.97 -28.7 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -0.938 . . . . 0.0 109.482 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -142.19 142.91 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.0 109.475 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 45.2 p-10 -105.46 120.12 40.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.498 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mp -106.24 17.85 22.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 m -63.64 -43.37 96.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.278 -0.889 . . . . 0.0 109.441 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.8 m -71.58 -34.53 70.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.0 109.49 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 62.6 t80 -79.57 129.3 34.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.213 -0.93 . . . . 0.0 109.456 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -80.17 -141.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.31 -0.869 . . . . 0.0 109.431 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.546 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 5.2 p90 -154.47 -49.06 0.09 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.483 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 10.1 mmm180 -65.86 -45.12 83.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 0.0 109.458 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -106.13 -9.84 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.184 -0.948 . . . . 0.0 109.434 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.406 ' HA2' ' CZ ' ' A' ' 64' ' ' PHE . . . 53.92 72.77 0.49 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -134.93 147.69 49.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -1.123 . . . . 0.0 109.437 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.704 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.586 ' NH2' ' OD1' ' A' ' 9' ' ' ASP . 2.0 tmt_? -87.19 140.36 29.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.538 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -142.13 154.0 44.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.879 . . . . 0.0 109.434 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.586 ' OD1' ' NH2' ' A' ' 7' ' ' ARG . 95.6 m-20 -72.09 155.02 40.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -113.97 125.38 29.48 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.224 -0.923 . . . . 0.0 109.512 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.58 -22.86 20.49 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.924 2.416 . . . . 0.0 112.245 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 71' ' ' MET . . . -83.1 -25.15 32.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.0 109.463 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 mt -100.99 147.25 33.45 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 109.521 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 17' ' ' TRP . 9.8 Cg_endo -53.94 165.33 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.896 2.397 . . . . 0.0 112.137 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.59 124.24 15.36 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.832 2.355 . . . . 0.0 112.215 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.17 -32.37 4.76 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CD1' ' HG2' ' A' ' 14' ' ' PRO . 45.1 m95 -61.37 138.32 58.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -1.161 . . . . 0.0 109.416 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -120.38 144.63 47.79 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.267 -0.896 . . . . 0.0 109.459 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -132.93 139.26 47.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 11.3 tm-20 -129.77 155.28 46.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.453 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 83.0 tt0 -125.78 117.13 22.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 0.0 109.489 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' OE1' ' A' ' 20' ' ' GLU . 89.4 t -106.95 129.98 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.157 -0.965 . . . . 0.0 109.478 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.0 mt -103.63 133.1 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -63.42 105.24 0.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -91.94 -7.12 49.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -0.883 . . . . 0.0 109.452 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -97.78 131.14 44.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.84 144.76 13.19 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.815 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -72.1 -43.88 64.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.111 . . . . 0.0 109.497 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 30' ' ' ALA . 50.2 m -61.43 25.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.471 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.696 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.85 164.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 0.0 109.458 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.85 -21.04 5.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 124.6 29.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -1.159 . . . . 0.0 109.462 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -128.64 151.58 49.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 0.0 109.54 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -126.47 144.68 50.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.908 . . . . 0.0 109.44 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -106.49 130.85 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.228 -0.92 . . . . 0.0 109.519 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -112.41 141.13 46.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 84.4 m-85 -120.04 132.47 55.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.473 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -118.32 133.55 55.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.455 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -105.75 166.53 11.16 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 0.0 109.506 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 12.8 Cg_endo -55.2 -12.1 4.96 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.829 2.352 . . . . 0.0 112.273 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.0 p -83.72 -5.39 59.18 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.466 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.92 0.01 67.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -77.12 143.16 39.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -1.111 . . . . 0.0 109.508 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -88.67 139.0 30.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.302 -0.874 . . . . 0.0 109.427 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 51' ' ' LEU . 56.0 m-85 -125.8 150.56 47.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.4 ttp180 -158.36 73.0 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 158.79 120.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.778 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -50.4 -49.81 75.01 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.517 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 17.5 Cg_endo -57.86 -26.11 72.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.877 2.385 . . . . 0.0 112.256 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -74.6 -50.87 16.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.575 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 45' ' ' PHE . 80.8 mt -65.65 -42.58 91.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.04 -44.78 67.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.283 -0.886 . . . . 0.0 109.594 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 53' ' ' ARG . 59.6 ttt-85 -67.61 -35.25 78.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.639 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.33 -53.45 43.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 55' ' ' LEU . 10.2 mp -67.39 -22.06 65.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 109.55 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -171.7 27.34 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' VAL . 47.8 p-10 -64.35 -23.19 67.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -1.128 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . . . -41.29 -25.34 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' ASN . 19.8 t -143.27 144.37 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 109.469 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.523 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 46.5 p-10 -101.51 117.85 35.75 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 0.0 109.473 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 61' ' ' LEU . 10.8 mp -101.63 12.21 37.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.6 m -60.07 -43.95 95.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.864 . . . . 0.0 109.479 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.6 m -75.37 -30.71 60.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 109.486 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 33.8 t80 -60.81 130.08 44.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.479 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 53.8 t0 -90.59 167.62 12.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.276 -0.89 . . . . 0.0 109.48 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 62.9 t80 -110.97 -56.6 2.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -55.58 -42.34 74.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 109.449 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -97.16 -38.36 9.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.474 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 64' ' ' PHE . . . 78.45 35.7 32.3 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -113.77 172.0 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.201 -1.176 . . . . 0.0 109.452 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 8.2 ttm . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.444 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -103.05 115.35 30.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.872 . . . . 0.0 109.483 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' A' ' 7' ' ' ARG . 10.9 pt20 -177.93 -166.07 0.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.504 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.05 -36.67 0.3 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.534 ' H ' ' C ' ' A' ' 5' ' ' GLN . 86.0 mtm180 -87.6 150.6 23.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -1.203 . . . . 0.0 109.506 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.8 p -142.03 152.65 43.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 0.0 109.445 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -78.22 159.32 28.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 109.451 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.56 123.04 63.09 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.537 179.012 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.38 -31.49 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.264 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.97 -41.22 5.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.263 -0.898 . . . . 0.0 109.499 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 6.3 mp -71.83 154.58 92.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.534 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 Cg_exo -38.32 135.63 0.66 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.819 2.346 . . . . 0.0 112.186 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.6 Cg_exo -49.59 131.84 29.19 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 0.0 112.258 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.76 -33.22 5.46 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.656 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 12.9 m95 -55.54 133.43 50.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -1.191 . . . . 0.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -121.65 146.69 46.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -138.08 144.89 41.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.47 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -127.35 156.11 42.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.221 -0.924 . . . . 0.0 109.453 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -127.79 113.02 15.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 109.552 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.51 131.52 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.91 . . . . 0.0 109.414 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.2 mt -102.1 128.95 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 0.0 109.472 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -55.71 106.86 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.358 -0.838 . . . . 0.0 109.452 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -92.73 -11.02 35.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.0 109.487 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -99.0 130.43 45.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.335 -0.853 . . . . 0.0 109.432 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 143.24 11.33 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.666 ' C ' ' H ' ' A' ' 30' ' ' ALA . 9.0 tp -67.66 -31.36 71.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -1.185 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' ALA . 32.6 p -62.85 25.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.875 . . . . 0.0 109.492 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.666 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -45.02 147.17 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 0.0 109.46 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.06 -22.88 5.33 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.713 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 83.8 tttt -78.75 128.57 33.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -1.15 . . . . 0.0 109.459 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -132.54 154.2 50.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -128.34 148.12 50.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.2 131.77 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -115.21 148.53 38.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 0.0 109.442 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -126.48 139.55 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.435 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.503 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 84.7 m-85 -115.65 133.23 56.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.53 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.656 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -86.22 164.23 39.32 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.0 109.454 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.24 -26.42 81.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.892 2.394 . . . . 0.0 112.204 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -28.19 62.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.468 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.57 0.79 23.23 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -72.62 140.57 48.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -1.169 . . . . 0.0 109.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -96.74 140.13 31.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -0.955 . . . . 0.0 109.427 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.69 165.6 21.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.514 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.71 ' O ' ' CB ' ' A' ' 47' ' ' SER . 23.5 mtm180 -142.44 120.47 12.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.0 109.423 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.71 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.9 t 92.77 154.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.885 . . . . 0.0 109.393 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 36.5 tttt -63.11 -43.64 81.96 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 0.0 109.536 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.8 Cg_exo -50.44 -32.06 32.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.889 2.393 . . . . 0.0 112.369 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.55 -46.92 18.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 52.6 tp -65.8 -43.03 89.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 0.0 109.483 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.76 82.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.543 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.696 ' HG2' HH11 ' A' ' 53' ' ' ARG . 17.5 mtt-85 -60.98 -35.81 77.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.608 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.13 -46.23 81.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.49 -28.01 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.27 -133.49 28.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -106.89 35.72 2.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -1.162 . . . . 0.0 109.477 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.63 -21.38 17.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.432 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.8 t -148.4 152.59 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.459 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -105.67 120.51 41.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 0.0 109.413 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 11.0 mp -98.97 17.76 18.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.435 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.84 -43.64 90.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.9 m -89.15 8.27 30.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -102.9 115.62 30.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -0.875 . . . . 0.0 109.449 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' GLY . 64.5 t0 -93.72 103.39 15.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.484 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' C ' ' A' ' 67' ' ' ARG . 26.2 p90 -64.38 -43.56 94.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.249 -0.907 . . . . 0.0 109.468 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.594 ' HG3' HH11 ' A' ' 67' ' ' ARG . 30.4 mmm-85 -36.64 -48.28 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -106.35 -24.87 12.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.0 109.408 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 83.19 40.9 8.85 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -122.79 165.49 16.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.511 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.6 ttm -114.69 137.37 51.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.474 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.892 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.493 5.608 1 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.507 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.353 1 C4'-C3'-C2' 110.942 7.742 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.525 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.487 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.445 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.487 5.136 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.448 1 C4'-C3'-C2' 110.963 7.763 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.445 ' C2 ' ' N2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.767 1 C4'-C3'-C2' 110.911 7.711 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.446 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.76 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.412 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.555 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.133 1 C4'-C3'-C2' 110.583 7.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.693 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.917 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.48 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.532 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.463 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.483 4.851 1 C4'-C3'-C2' 110.905 7.705 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.713 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.75 1 C4'-C3'-C2' 110.953 7.753 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.445 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.822 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.331 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.525 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 6.003 2 C4'-C3'-C2' 110.992 7.792 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.588 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.798 1 C4'-C3'-C2' 110.957 7.757 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.639 1 C4'-C3'-C2' 110.57 7.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' O ' ' A' ' 5' ' ' GLN . 53.8 mtpt -62.72 -85.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.263 -0.898 . . . . 0.0 109.479 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.533 ' O ' ' O ' ' A' ' 4' ' ' LYS . 28.2 mp0 41.13 96.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.448 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.47 -68.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -88.72 150.22 23.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -1.132 . . . . 0.0 109.504 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -141.22 153.49 45.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.595 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 51.7 t0 -84.91 165.14 17.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.255 -0.903 . . . . 0.0 109.525 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.595 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -118.27 122.14 30.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 178.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.96 -15.64 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.353 . . . . 0.0 112.248 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.552 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -98.52 -41.95 7.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.489 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.6 mp -77.41 150.31 79.65 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.428 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -41.15 136.64 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.82 2.346 . . . . 0.0 112.151 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -48.39 125.37 12.1 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.819 2.346 . . . . 0.0 112.187 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.17 -32.03 4.69 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 35.2 m95 -58.51 133.03 55.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -1.122 . . . . 0.0 109.476 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -119.86 144.94 47.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 69' ' ' GLY . 32.2 mtpt -133.18 139.41 47.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.534 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -124.38 153.35 42.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.415 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -127.27 115.94 19.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.91 . . . . 0.0 109.527 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.81 131.98 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 109.46 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.3 mt -102.89 133.24 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.0 109.466 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.56 107.39 0.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.49 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -10.03 36.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -98.42 130.78 45.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.73 144.91 13.39 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' ' H ' ' A' ' 30' ' ' ALA . 45.4 tp -68.41 -32.91 73.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 0.0 109.405 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' ALA . 81.0 p -61.75 25.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.508 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.0 148.5 0.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.09 -22.72 5.34 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.628 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 88.5 tttt -79.74 130.22 35.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 109.471 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 p -134.57 155.13 50.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.568 ' OD2' ' CZ ' ' A' ' 36' ' ' TYR . 3.0 p-10 -131.94 152.57 51.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.264 -0.897 . . . . 0.0 109.469 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.91 135.27 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 109.517 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CZ ' ' OD2' ' A' ' 34' ' ' ASP . 97.4 m-85 -110.86 147.48 34.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 19' ' ' LYS . 41.8 m-85 -118.21 129.51 55.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.0 109.469 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -115.12 131.56 56.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 p -103.06 171.13 5.47 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -19.77 58.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.827 2.351 . . . . 0.0 112.193 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.8 p -78.2 -3.6 43.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.912 . . . . 0.0 109.41 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.4 0.2 71.31 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.7 141.8 44.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -1.149 . . . . 0.0 109.48 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.23 138.66 31.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.44 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -124.93 152.65 43.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.459 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 ttp180 -143.38 116.94 9.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 0.0 109.436 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.8 p 95.94 149.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.734 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.75 -44.03 98.51 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.55 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 51.0 Cg_exo -52.63 -32.26 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.864 2.376 . . . . 0.0 112.255 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -77.34 -53.49 7.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.195 -0.94 . . . . 0.0 109.543 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tp -63.6 -46.71 84.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 109.497 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.14 70.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' HH11 ' A' ' 53' ' ' ARG . 56.2 ttt-85 -61.38 -36.5 80.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -65.78 -48.31 72.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 0.0 109.523 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.05 -27.46 69.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.0 109.559 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 -132.05 34.4 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -105.1 33.72 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -1.179 . . . . 0.0 109.477 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.23 -22.89 14.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.266 -0.896 . . . . 0.0 109.462 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.1 t -142.74 144.65 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 61' ' ' LEU . 58.2 t0 -98.68 115.86 29.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.734 HD12 ' NZ ' ' A' ' 48' ' ' LYS . 4.2 mm? -107.06 12.68 28.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 109.444 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 t -71.77 -41.89 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.0 109.43 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.46 -40.31 96.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.421 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD1' ' N ' ' A' ' 65' ' ' ASP . 5.6 t80 -100.95 153.82 19.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.68 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 85.4 m-20 -99.86 -109.94 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.429 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -176.82 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -49.05 -25.57 2.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.0 109.485 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 p -102.18 -24.85 13.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.894 . . . . 0.0 109.413 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.559 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 72.35 23.34 78.1 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 54.4 mtmt -120.46 179.41 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -1.152 . . . . 0.0 109.439 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.552 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 10.1 tpt -97.63 145.53 26.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 0.0 109.455 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.428 ' H ' ' HB2' ' A' ' 64' ' ' PHE . 67.6 mtt . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.283 -0.886 . . . . 0.0 109.52 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.818 " O5'" ' H8 ' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.952 1 C4'-C3'-C2' 111.002 7.802 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.472 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.475 4.238 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.492 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.385 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.419 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.487 5.136 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.417 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.431 1 C4'-C3'-C2' 110.955 7.755 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.417 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.798 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.448 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.865 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.448 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.721 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.633 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . 0.401 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.503 6.415 1 C4'-C3'-C2' 110.588 7.388 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.829 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.821 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.47 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.595 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.458 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.489 5.295 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.628 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.487 5.18 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.361 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.918 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.492 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.494 5.728 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.582 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.407 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.49 5.415 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.598 1 C4'-C3'-C2' 110.596 7.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.5 148.42 23.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.489 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.556 ' N ' ' OE1' ' A' ' 5' ' ' GLN . 24.9 mp0 -87.1 88.92 7.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.517 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 34.35 37.62 0.09 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' GLN . 81.9 mtt-85 -84.19 141.96 30.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -1.117 . . . . 0.0 109.523 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -141.55 150.52 42.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 109.428 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 17' ' ' TRP . 37.8 m-20 -120.18 124.85 46.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.509 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.18 153.26 61.38 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.43 -9.14 21.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.793 2.328 . . . . 0.0 112.267 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.96 74.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.18 -0.95 . . . . 0.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.32 149.02 42.89 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.368 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -43.37 157.08 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.8 2.333 . . . . 0.0 112.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.16 119.09 6.12 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.803 2.335 . . . . 0.0 112.242 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.08 -34.53 3.67 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 82.4 m95 -61.0 133.91 56.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.339 -1.095 . . . . 0.0 109.459 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.39 144.71 48.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.511 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -120.99 135.92 55.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.242 -0.911 . . . . 0.0 109.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.64 151.35 43.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.378 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -128.09 112.39 14.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.17 130.59 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.469 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 75.2 mt -104.69 141.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -42.43 151.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.492 -179.651 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -111.74 -27.81 8.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.144 -0.973 . . . . 0.0 109.415 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 p -139.39 162.52 34.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.08 141.45 10.8 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 30' ' ' ALA . 6.7 tp -61.15 -15.19 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -1.156 . . . . 0.0 109.478 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -73.34 18.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.84 126.17 11.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.251 -0.905 . . . . 0.0 109.474 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.98 -25.48 4.63 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' NZ ' ' O6 ' ' B' ' 107' ' ' ' DG' . 37.3 ttpt -82.82 144.81 29.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -1.103 . . . . 0.0 109.495 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -144.54 162.7 35.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 0.0 109.54 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -129.18 149.5 50.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 67' ' ' ARG . 18.7 t -102.79 129.05 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -115.07 147.17 40.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.334 -0.854 . . . . 0.0 109.404 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -123.96 137.56 54.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.491 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -118.25 133.75 55.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.444 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 1.4 p -94.34 157.75 36.91 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -56.72 -11.83 7.7 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.82 2.347 . . . . 0.0 112.199 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -83.99 -4.87 59.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.454 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.28 -3.71 85.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -76.58 141.25 41.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -1.148 . . . . 0.0 109.511 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -92.35 144.05 25.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.917 . . . . 0.0 109.442 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -128.43 154.17 46.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.517 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 47' ' ' SER . 5.1 ptm180 -159.23 66.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 109.492 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.48 ' OG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 166.27 119.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 109.452 -178.572 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.711 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 26.3 tttt -45.77 -54.15 17.35 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.482 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.711 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 14.3 Cg_endo -57.29 -22.96 51.8 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.824 2.349 . . . . 0.0 112.273 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -75.83 -52.2 10.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.554 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.32 -44.56 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.94 . . . . 0.0 109.58 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.76 71.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.271 -0.893 . . . . 0.0 109.537 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.602 HH11 ' HG3' ' A' ' 53' ' ' ARG . 23.2 ttm-85 -61.91 -38.03 86.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 0.0 109.609 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.88 -48.9 72.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.58 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.89 -28.48 66.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 0.0 109.57 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.61 -131.9 26.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -105.44 36.35 2.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -1.176 . . . . 0.0 109.507 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.0 -22.46 17.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 109.374 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.59 151.16 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.304 -0.872 . . . . 0.0 109.419 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 42.5 p-10 -100.1 117.22 33.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.0 mp -99.93 15.08 28.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.485 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.6 p -57.15 -37.5 72.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 109.472 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.614 ' O ' ' N ' ' A' ' 72' ' ' MET . 29.8 m -97.64 6.87 47.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 109.519 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -98.75 116.28 30.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 0.0 109.486 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 69' ' ' GLY . 89.4 m-20 -98.1 103.8 15.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 109.472 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 6.4 p90 -64.37 -41.0 96.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 0.0 109.474 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 11.5 ptp180 -56.58 -22.74 35.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.463 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 p -120.52 -10.79 9.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 0.0 109.538 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 57.08 35.59 70.24 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -126.61 159.24 34.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.505 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.4 mmm -90.03 147.43 23.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.446 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.614 ' N ' ' O ' ' A' ' 63' ' ' CYS . 58.5 ttm . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.543 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.715 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.677 1 C4'-C3'-C2' 110.987 7.787 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.434 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.932 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.519 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.485 5.015 1 C4'-C3'-C2' 110.873 7.673 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.493 5.597 1 C4'-C3'-C2' 110.849 7.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.4 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.493 5.586 2 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.4 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.485 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.678 1 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.463 ' O6 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.79 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.407 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.957 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.606 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.381 1 C4'-C3'-C2' 110.581 7.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.936 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.109 1 C4'-C3'-C2' 111.009 7.809 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.789 1 C4'-C3'-C2' 110.856 7.656 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.472 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.488 5.256 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.472 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.661 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.485 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.558 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.093 1 C4'-C3'-C2' 110.963 7.763 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.519 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.903 1 C4'-C3'-C2' 110.941 7.741 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.603 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.786 1 C4'-C3'-C2' 110.898 7.698 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.652 1 C4'-C3'-C2' 110.604 7.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 5' ' ' GLN . 48.7 mtmt -78.88 136.15 37.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.282 -0.886 . . . . 0.0 109.476 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.772 ' O ' ' N ' ' A' ' 7' ' ' ARG . 98.5 mm-40 39.12 67.96 0.4 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 0.0 109.499 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . -41.04 80.49 0.0 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 5' ' ' GLN . 94.5 mtt180 -76.21 169.95 17.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -1.137 . . . . 0.0 109.513 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -136.72 148.36 47.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.461 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.31 148.83 51.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 0.0 109.488 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -77.17 119.96 79.64 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.273 -0.892 . . . . 0.0 109.491 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.28 -50.9 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.889 2.393 . . . . 0.0 112.235 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 -28.51 8.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.0 109.521 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mt -69.94 148.18 96.18 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 62.1 Cg_exo -39.19 152.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 43.6 Cg_exo -54.32 147.98 43.7 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.829 2.353 . . . . 0.0 112.265 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.69 -26.81 7.78 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.622 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 15.9 m95 -63.69 135.75 56.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -1.191 . . . . 0.0 109.458 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.07 151.52 51.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -0.982 . . . . 0.0 109.506 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -138.36 144.92 40.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 0.0 109.557 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 12.9 tm-20 -127.65 169.53 13.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 82.6 tt0 -128.81 108.82 10.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 109.424 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.543 HG23 ' OE1' ' A' ' 20' ' ' GLU . 87.0 t -94.58 128.52 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.469 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 81.7 mt -107.21 139.11 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ILE . 23.2 mmt180 -42.14 114.46 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.447 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -81.47 -29.14 33.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.232 -0.918 . . . . 0.0 109.472 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -133.81 159.17 41.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.494 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.22 142.07 11.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 30' ' ' ALA . 7.8 tt -65.53 -16.05 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -1.175 . . . . 0.0 109.47 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -71.16 23.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.394 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.59 130.72 32.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 109.475 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.94 -29.55 3.91 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.41 139.08 37.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.157 . . . . 0.0 109.451 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -136.51 157.02 47.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.534 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.94 144.9 51.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.89 . . . . 0.0 109.486 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 67' ' ' ARG . 22.0 t -105.93 126.19 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 0.0 109.505 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.49 152.9 24.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.539 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 92.3 m-85 -130.26 144.53 51.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 0.0 109.458 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.04 136.07 54.01 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.446 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.622 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -93.08 164.62 20.89 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.854 . . . . 0.0 109.422 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.26 -17.93 62.44 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.899 2.4 . . . . 0.0 112.205 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.4 p -86.5 -6.57 58.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.269 -0.894 . . . . 0.0 109.495 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.68 73.6 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -75.3 134.94 40.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -1.156 . . . . 0.0 109.469 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -104.54 145.48 30.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.309 -0.869 . . . . 0.0 109.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.791 ' CD1' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -143.49 -177.35 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.0 109.559 178.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.9 ttp180 -169.67 86.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 154.26 138.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.791 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tttm -57.07 -49.46 93.86 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 0.0 109.517 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 21.5 Cg_endo -60.44 -29.3 88.42 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.807 2.338 . . . . 0.0 112.368 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -74.53 -44.8 49.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.571 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 45' ' ' PHE . 96.1 mt -65.75 -43.0 90.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 109.577 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.45 72.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.555 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -66.22 -37.43 85.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.38 -47.99 52.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.214 -0.929 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD21 ' CH2' ' A' ' 17' ' ' TRP . 4.3 mm? -64.64 -24.44 67.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.604 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.17 -179.71 5.47 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' VAL . 98.4 m-20 -64.26 -25.45 68.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -1.116 . . . . 0.0 109.491 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.36 -26.44 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.0 109.425 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' ASN . 61.9 t -143.17 144.52 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' C ' HD12 ' A' ' 61' ' ' LEU . 42.8 t0 -108.21 120.61 42.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.55 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.845 ' N ' HD12 ' A' ' 61' ' ' LEU . 5.4 mp -95.8 20.11 10.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.204 -0.935 . . . . 0.0 109.457 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -58.17 -42.67 86.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 72' ' ' MET . 1.6 m -77.94 8.4 4.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.438 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CZ ' ' HA2' ' A' ' 69' ' ' GLY . 36.1 t80 -96.3 122.23 38.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.459 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 66' ' ' PHE . 71.0 m-20 -70.34 -92.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.439 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.539 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 5.0 t80 163.65 -69.08 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.7 mtm180 -69.61 -40.48 76.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.186 -0.946 . . . . 0.0 109.452 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 69' ' ' GLY . 12.9 p -94.44 1.75 55.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 34.41 48.63 0.65 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -109.57 170.17 8.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -1.15 . . . . 0.0 109.518 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.9 148.26 26.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.205 -0.934 . . . . 0.0 109.429 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.427 ' H ' ' HB3' ' A' ' 63' ' ' CYS . 53.3 ttp . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.436 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.696 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.954 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.474 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.92 1 C4'-C3'-C2' 110.917 7.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.503 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.381 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.428 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.099 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.405 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.495 5.799 2 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.405 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.438 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.7 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.412 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.481 4.657 1 C4'-C3'-C2' 110.85 7.65 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.412 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.568 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.477 ' CYA' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.503 6.363 1 C4'-C3'-C2' 110.641 7.441 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.723 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.89 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.667 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.463 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.484 4.925 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.463 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.929 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.438 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.418 1 C4'-C3'-C2' 110.91 7.71 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.425 1 C4'-C3'-C2' 110.881 7.681 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.503 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.501 6.238 2 C4'-C3'-C2' 110.867 7.667 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.497 5.948 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.408 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 5' ' ' GLN . 97.3 m-20 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' O ' ' O ' ' A' ' 5' ' ' GLN . 72.2 mmtt 42.86 23.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.585 ' O ' ' O ' ' A' ' 4' ' ' LYS . 77.1 mt-30 54.73 152.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.932 . . . . 0.0 109.49 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.02 41.74 0.34 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.0 139.0 32.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 0.0 109.485 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -142.19 152.94 43.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.0 109.461 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 51.6 p-10 -75.22 156.31 35.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.448 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.03 120.15 35.84 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.204 -0.935 . . . . 0.0 109.421 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.36 -25.12 15.8 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.757 2.305 . . . . 0.0 112.241 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.92 -18.09 54.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 0.0 109.462 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 48.6 mt -111.69 143.22 28.15 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.0 109.483 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -41.03 160.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.785 2.323 . . . . 0.0 112.231 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 129.85 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.864 2.376 . . . . 0.0 112.24 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.53 -32.07 6.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.898 ' CH2' HD11 ' A' ' 51' ' ' LEU . 63.9 m95 -60.23 135.73 57.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.207 -1.172 . . . . 0.0 109.47 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.79 154.03 47.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.281 -0.887 . . . . 0.0 109.53 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -138.74 146.35 41.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -125.37 158.84 33.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -129.37 112.4 13.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.473 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.1 t -109.23 132.56 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 83.4 mt -102.3 128.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.192 -0.942 . . . . 0.0 109.474 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HG2' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -44.16 111.15 0.26 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.868 . . . . 0.0 109.513 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -92.15 -23.19 19.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.49 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -102.6 131.66 49.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.269 -0.895 . . . . 0.0 109.511 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.93 138.78 8.75 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.9 tp -59.89 -28.17 67.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.282 -1.128 . . . . 0.0 109.514 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 p -61.72 24.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.81 138.42 29.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 0.0 109.44 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.58 -25.44 4.76 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -70.35 129.39 39.16 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -1.148 . . . . 0.0 109.421 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -117.89 144.55 45.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.527 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -126.21 142.32 51.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.181 -0.95 . . . . 0.0 109.394 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.89 128.71 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.933 . . . . 0.0 109.57 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -112.05 151.23 29.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 109.449 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.51 132.96 54.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -119.0 135.56 54.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.444 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -82.04 166.21 38.48 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.419 179.308 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.0 Cg_endo -58.66 -26.04 77.71 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.895 2.397 . . . . 0.0 112.146 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -74.88 -29.02 60.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.272 -0.892 . . . . 0.0 109.438 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.19 7.82 16.07 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.31 142.82 45.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -1.098 . . . . 0.0 109.484 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.61 135.51 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.877 . . . . 0.0 109.504 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -131.57 162.75 29.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 0.0 109.438 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -148.87 121.41 8.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.515 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.6 m 99.44 144.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.9 . . . . 0.0 109.479 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.814 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 1.6 ttpm? -56.85 -49.12 95.67 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.524 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.814 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.4 Cg_endo -51.93 -32.19 46.53 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.85 2.367 . . . . 0.0 112.261 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -73.07 -52.0 15.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.299 -0.876 . . . . 0.0 109.609 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -65.58 -43.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.897 . . . . 0.0 109.505 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' HA ' HD21 ' A' ' 55' ' ' LEU . . . -53.13 -42.2 65.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 0.0 109.563 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.714 ' CG ' HH11 ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.01 -36.31 82.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 0.0 109.601 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.66 -53.9 44.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.481 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLY . 2.8 pp -69.58 -21.35 63.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 55' ' ' LEU . . . 67.27 -128.83 28.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -106.15 34.67 3.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -1.142 . . . . 0.0 109.512 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.85 18.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.227 -0.92 . . . . 0.0 109.451 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.54 149.84 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.511 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' C ' HD12 ' A' ' 61' ' ' LEU . 48.3 t0 -98.43 117.26 32.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.929 . . . . 0.0 109.485 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 55' ' ' LEU . 10.8 mp -105.5 18.99 21.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.398 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 t -55.38 -43.6 75.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.46 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.546 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -86.55 25.52 1.22 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -95.84 122.06 38.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 109.524 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.777 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.5 t0 -97.84 115.3 27.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' ARG . 75.6 t80 -54.55 -47.4 73.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.923 . . . . 0.0 109.439 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.1 tpm_? -38.41 -45.3 1.01 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.6 p -139.99 -38.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.0 109.521 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.777 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 94.08 74.86 1.27 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 63' ' ' CYS . 10.3 ptpp? -114.32 165.58 12.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -1.126 . . . . 0.0 109.471 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' MET . 18.0 ttm -118.31 129.89 55.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' MET . 99.3 mmm . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.248 -0.908 . . . . 0.0 109.482 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.887 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.466 3.504 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.515 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.468 3.72 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.469 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.408 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.487 5.168 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.425 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.489 5.299 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.425 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.76 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.425 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.485 5.03 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.889 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.557 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.24 1 C4'-C3'-C2' 110.585 7.385 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.75 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.111 1 C4'-C3'-C2' 110.998 7.798 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.437 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.775 1 C4'-C3'-C2' 110.994 7.794 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.455 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.489 5.325 1 C4'-C3'-C2' 110.897 7.697 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.455 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.773 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.438 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.528 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.921 1 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.508 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.441 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.49 5.379 1 C4'-C3'-C2' 110.88 7.68 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.466 3.526 1 C4'-C3'-C2' 110.654 7.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.339 0.59 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -87.65 -8.31 56.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' O ' ' C ' ' A' ' 6' ' ' GLY . 16.2 pt20 -145.2 -40.65 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 109.484 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 30.73 42.75 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' GLN . 99.0 mtt180 -84.45 143.88 29.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -1.145 . . . . 0.0 109.514 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -142.16 152.15 42.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.972 . . . . 0.0 109.468 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -73.88 154.68 39.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 109.478 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 t -115.16 131.38 23.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.0 109.415 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -71.97 -22.77 22.68 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.783 2.322 . . . . 0.0 112.264 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -81.15 -28.64 34.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 3.0 mm? -102.39 152.23 38.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.0 165.96 15.4 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.346 . . . . 0.0 112.193 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.64 126.69 20.36 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.845 2.363 . . . . 0.0 112.209 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -35.84 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 64.0 m95 -67.53 140.27 56.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.462 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.49 154.79 45.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.428 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.772 ' HZ2' HG13 ' A' ' 35' ' ' VAL . 26.7 tttp -127.92 137.82 52.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -128.74 150.5 50.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.0 109.469 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -129.73 122.66 29.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.4 131.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.427 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.95 129.79 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 109.478 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.676 ' HG2' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -48.13 110.77 0.36 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.931 . . . . 0.0 109.434 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -90.78 -19.27 23.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.47 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 p -106.19 132.86 51.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.908 . . . . 0.0 109.455 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.97 140.76 8.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 57.4 tp -66.81 -33.3 75.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -1.177 . . . . 0.0 109.474 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -60.36 26.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 0.0 109.521 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.71 143.61 3.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.192 -0.942 . . . . 0.0 109.48 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.34 -24.27 5.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.717 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 63.3 tttm -77.16 133.21 39.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.217 -1.166 . . . . 0.0 109.468 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -132.25 153.95 50.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 51.4 t0 -127.47 146.58 50.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.91 . . . . 0.0 109.409 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.772 HG13 ' HZ2' ' A' ' 19' ' ' LYS . 40.2 t -107.0 130.47 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 109.529 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -116.03 146.54 42.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.516 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -119.13 131.15 55.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 0.0 109.458 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -114.57 132.34 56.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.279 -0.888 . . . . 0.0 109.505 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.451 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -100.28 159.94 28.39 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.436 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.95 -15.45 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.784 2.323 . . . . 0.0 112.257 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.99 -2.89 46.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.515 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 0.84 88.11 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.03 142.25 36.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.411 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.46 144.45 25.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 41.6 m-85 -124.46 144.71 49.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.278 -0.889 . . . . 0.0 109.464 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' SER . 7.9 ptm180 -147.46 63.1 1.15 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.17 -0.956 . . . . 0.0 109.483 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.515 ' OG ' ' P ' ' C' ' 115' ' ' 5CM . 0.5 OUTLIER 164.63 115.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 -178.142 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.771 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 3.1 tmmm? -44.43 -50.61 22.4 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 109.465 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.771 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 19.0 Cg_endo -57.44 -24.43 60.97 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.35 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -73.98 -53.48 9.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.619 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.83 -46.49 87.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.87 . . . . 0.0 109.546 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.48 -41.75 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.911 . . . . 0.0 109.58 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 53' ' ' ARG . 49.2 ttm-85 -64.34 -39.51 94.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.662 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.22 -49.84 74.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.532 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 55' ' ' LEU . 98.2 mt -64.33 -24.15 67.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.507 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.94 36.25 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -104.74 32.68 3.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -1.151 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.88 -22.66 16.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 t -145.45 149.97 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 109.453 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 44.7 p-10 -103.3 119.46 38.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.506 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.7 mp -107.05 14.93 25.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -62.76 -43.54 98.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.2 m -76.56 -27.24 55.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 48.4 t80 -66.77 129.39 39.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.463 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 91.8 m-20 -82.98 -170.41 3.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.0 109.438 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -130.94 -53.53 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.672 ' HG2' HH11 ' A' ' 67' ' ' ARG . 1.6 mmt-85 -61.11 -42.72 99.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.43 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 23.5 p -104.68 -2.3 25.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.897 . . . . 0.0 109.471 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.34 35.08 14.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' H ' ' HB2' ' A' ' 65' ' ' ASP . 95.7 mttt -113.44 161.87 16.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -1.193 . . . . 0.0 109.459 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.5 mtt -89.37 148.13 23.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.417 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 109.439 -179.63 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.749 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.501 6.219 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.482 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.413 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.535 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.475 4.195 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.436 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.482 4.797 1 C4'-C3'-C2' 110.894 7.694 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.503 2 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.54 1 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.416 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.485 5.007 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.416 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.747 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.633 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.078 1 C4'-C3'-C2' 110.547 7.347 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.84 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.495 5.802 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.447 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.501 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.516 " H4'" HH21 ' A' ' 67' ' ' ARG . . . . . . . . 1 O4'--C1' 1.482 4.786 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.717 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.479 4.521 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.515 ' P ' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.665 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.106 1 C4'-C3'-C2' 110.901 7.701 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.535 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.496 5.865 2 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.566 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.4 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.49 5.413 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.459 3.004 1 C4'-C3'-C2' 110.614 7.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' LYS . 26.1 t70 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' ASP . 65.1 mmtt 46.37 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.487 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -81.11 -163.85 0.66 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.73 -73.1 0.03 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.16 163.38 27.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -1.166 . . . . 0.0 109.489 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -140.23 148.59 41.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.468 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 55.8 p-10 -75.55 153.78 37.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -119.28 117.16 33.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.68 -24.72 15.51 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.847 2.364 . . . . 0.0 112.251 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.51 -17.45 48.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.299 -0.876 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 12' ' ' ALA . 9.2 mp -111.1 149.03 39.9 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.283 -0.885 . . . . 0.0 109.463 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -42.7 144.02 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.837 2.358 . . . . 0.0 112.168 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.14 124.02 10.96 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.778 2.318 . . . . 0.0 112.196 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.94 -31.07 5.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.556 ' CZ3' HD21 ' A' ' 51' ' ' LEU . 42.5 m95 -60.57 136.87 58.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -1.186 . . . . 0.0 109.483 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -127.78 150.52 49.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.464 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.83 141.71 49.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 52.0 tp10 -121.31 156.14 33.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 80.8 tt0 -127.47 111.32 13.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.524 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.42 129.38 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 84.3 mt -106.3 145.04 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.464 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' ILE . 24.1 mmt180 -42.36 114.62 0.59 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.261 -0.9 . . . . 0.0 109.491 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.97 -30.58 31.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.2 t -128.64 153.57 47.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.48 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 137.93 8.2 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.922 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.01 -34.89 78.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.195 -1.18 . . . . 0.0 109.475 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -61.01 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.551 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.692 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -51.32 147.05 6.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.202 -0.936 . . . . 0.0 109.48 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.23 -26.84 4.63 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -79.94 139.61 37.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.43 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -138.89 158.77 43.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.534 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 67.5 t0 -127.91 145.18 51.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 61.2 t -103.45 126.34 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 -178.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -111.46 148.04 33.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.456 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.481 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 94.7 m-85 -122.54 134.7 54.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.908 . . . . 0.0 109.476 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.58 131.51 56.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.537 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.519 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -101.74 171.01 5.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 109.469 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.63 -24.12 43.75 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.193 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -80.12 2.37 24.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.257 -0.902 . . . . 0.0 109.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.0 6.05 63.21 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 44' ' ' LYS . 27.1 tptp -76.43 141.17 41.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.178 . . . . 0.0 109.452 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 9.5 ttmm -93.98 142.99 26.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.54 160.51 35.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.8 ttp180 -148.91 123.32 9.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.736 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 13.2 p 94.35 151.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.457 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.837 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 18.2 tttm -63.8 -48.41 79.37 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.837 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.1 Cg_endo -53.03 -33.99 65.58 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.827 2.351 . . . . 0.0 112.323 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -73.63 -49.65 25.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 109.564 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.583 ' O ' HD13 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.491 178.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.76 78.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.536 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HH11 ' A' ' 53' ' ' ARG . 54.6 ttt-85 -63.73 -39.15 93.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -64.13 -47.49 79.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.534 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.5 mt -71.69 -29.19 64.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.634 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.21 -172.13 38.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 59' ' ' VAL . 43.5 t30 -62.47 -25.99 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -1.139 . . . . 0.0 109.503 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.7 -25.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.915 . . . . 0.0 109.447 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 57' ' ' ASN . 4.1 t -140.27 139.88 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -102.48 118.38 36.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.508 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mp -102.7 21.61 15.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 p -60.62 -41.94 95.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.339 -0.851 . . . . 0.0 109.492 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.7 m -92.57 -9.36 41.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -68.83 119.01 12.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.5 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -90.92 92.15 8.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.445 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 27.7 p90 -59.79 -44.29 94.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.614 ' CA ' ' HE ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -42.15 -40.39 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 p -99.46 -24.14 14.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.82 -8.59 79.59 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 72' ' ' MET . 9.8 ptpp? -150.39 138.69 20.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtt -52.74 95.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.517 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.429 ' C ' ' SD ' ' A' ' 72' ' ' MET . 3.4 ppp? . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 109.438 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.985 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.66 1 C4'-C3'-C2' 110.985 7.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.526 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.472 3.995 1 C4'-C3'-C2' 110.877 7.677 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.526 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.131 1 C4'-C3'-C2' 110.952 7.752 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.31 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.902 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.433 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.785 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.433 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.553 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.643 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.226 1 C4'-C3'-C2' 110.544 7.344 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.769 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.729 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.482 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.699 1 C4'-C3'-C2' 110.917 7.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.448 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.902 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.928 1 C4'-C3'-C2' 110.88 7.68 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.483 4.81 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.304 1 C4'-C3'-C2' 110.893 7.693 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.775 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.607 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.775 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.841 1 C4'-C3'-C2' 110.567 7.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.578 ' O ' ' N ' ' A' ' 6' ' ' GLY . 52.6 mtpt -67.24 138.3 56.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.221 -0.925 . . . . 0.0 109.43 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' A' ' 6' ' ' GLY . 0.3 OUTLIER 42.56 19.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 109.408 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 4' ' ' LYS . . . 33.38 40.85 0.13 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' GLN . 6.1 ptm180 -82.94 136.22 34.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -1.128 . . . . 0.0 109.498 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.8 p -141.42 149.43 41.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.256 -0.902 . . . . 0.0 109.436 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -75.7 151.03 37.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.446 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.5 m -112.04 122.04 37.9 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -74.94 -29.57 8.2 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.834 2.356 . . . . 0.0 112.244 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -13.2 59.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 109.456 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 15.9 mt -116.5 145.58 35.56 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.494 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.8 Cg_exo -40.18 153.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.819 2.346 . . . . 0.0 112.243 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.0 Cg_exo -50.44 126.93 18.97 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.757 2.305 . . . . 0.0 112.247 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.07 -31.5 5.83 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 22.4 m95 -58.43 133.48 55.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -1.125 . . . . 0.0 109.403 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -131.21 156.02 46.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.4 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -140.43 149.2 42.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -120.54 153.51 36.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.42 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -127.55 111.41 13.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.15 129.75 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 109.407 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.42 125.65 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.484 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -48.51 106.37 0.1 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 0.0 109.499 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.97 -19.18 21.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.436 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -101.17 132.02 46.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.493 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.36 144.15 12.39 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 30' ' ' ALA . 58.8 tp -63.77 -22.36 66.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -1.159 . . . . 0.0 109.417 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -64.11 24.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.872 . . . . 0.0 109.429 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.656 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.62 132.43 13.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.485 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.57 -25.6 4.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -79.53 135.6 36.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -1.139 . . . . 0.0 109.424 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.5 p -138.43 157.99 45.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -128.33 147.81 50.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.5 t -109.81 129.39 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 109.541 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.44 148.84 32.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.501 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 72.8 m-85 -124.14 137.94 54.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.42 139.51 53.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.139 -0.976 . . . . 0.0 109.478 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -111.55 171.46 4.32 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.0 109.44 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.58 -23.23 10.51 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.834 2.356 . . . . 0.0 112.199 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.7 m -78.06 -5.55 51.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.454 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.86 3.49 64.03 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 45' ' ' PHE . 27.1 tptp -73.65 140.22 45.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.194 -1.18 . . . . 0.0 109.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.83 137.87 34.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.273 -0.892 . . . . 0.0 109.447 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 43' ' ' LYS . 54.2 m-85 -129.8 164.16 24.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.752 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.0 mtm180 -144.08 119.3 10.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 109.405 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.752 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 4.5 t 96.51 155.67 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 109.492 177.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.863 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 32.2 ttpt -62.92 -46.87 87.6 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.863 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 11.3 Cg_endo -54.32 -31.93 69.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.317 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -74.01 -54.22 8.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.797 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.1 tt -66.37 -41.13 89.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.518 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.14 64.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 109.573 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HH11 ' A' ' 53' ' ' ARG . 80.0 mtt-85 -63.98 -34.19 77.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.641 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.0 -50.54 70.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.538 ' CD1' HD21 ' A' ' 51' ' ' LEU . 98.0 mt -66.74 -24.44 66.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.575 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.73 -131.06 31.35 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.78 32.99 3.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -1.14 . . . . 0.0 109.481 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.12 -21.6 17.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.493 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.88 147.93 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.0 109.471 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -103.97 120.83 41.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 32.2 mt -114.11 20.59 15.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.9 m -84.25 -40.47 18.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.44 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.48 -44.65 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.384 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CG ' ' N ' ' A' ' 65' ' ' ASP . 94.1 t80 -106.65 164.42 12.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.444 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 64' ' ' PHE . 76.7 m-20 -78.58 -117.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 8.2 p90 -178.45 -17.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.179 -0.951 . . . . 0.0 109.485 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.69 ' CB ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -45.44 -40.81 8.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.539 -179.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.95 -37.55 5.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.869 . . . . 0.0 109.47 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.83 2.38 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -105.44 164.94 11.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -1.123 . . . . 0.0 109.423 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.92 137.79 51.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.452 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.4 ttm . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 -179.535 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.827 " O5'" ' H8 ' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.359 1 C4'-C3'-C2' 110.957 7.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.532 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.468 3.723 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.534 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.472 4.003 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.485 4.977 1 C4'-C3'-C2' 110.877 7.677 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.731 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.568 ' C2 ' ' N2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.922 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.42 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.485 4.978 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.42 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.028 1 C4'-C3'-C2' 110.898 7.698 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.558 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.386 1 C4'-C3'-C2' 110.66 7.46 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.749 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.096 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.44 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.921 1 C4'-C3'-C2' 110.878 7.678 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.489 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.868 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.489 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.697 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.459 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.568 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.734 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.333 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.534 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.504 6.479 1 C4'-C3'-C2' 110.976 7.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.244 1 C4'-C3'-C2' 110.983 7.783 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.834 1 C4'-C3'-C2' 110.625 7.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.94 -164.78 1.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -69.34 108.96 3.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.51 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.75 154.26 37.6 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.0 169.36 17.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.491 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -139.08 150.46 45.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.435 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.61 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 56.3 t0 -80.34 158.93 25.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 0.0 109.51 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.61 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -100.11 120.52 56.54 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 109.413 178.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.9 -25.91 13.81 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.797 2.332 . . . . 0.0 112.228 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.546 ' HB1' ' SD ' ' A' ' 71' ' ' MET . . . -100.75 -42.82 6.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.915 . . . . 0.0 109.478 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.8 153.96 91.2 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.499 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -39.47 136.99 1.0 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.793 2.328 . . . . 0.0 112.155 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.8 126.16 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.832 2.355 . . . . 0.0 112.185 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.43 -32.08 5.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.463 ' CH2' HD11 ' A' ' 51' ' ' LEU . 37.5 m95 -57.28 132.59 53.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -1.144 . . . . 0.0 109.494 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -119.83 145.31 46.75 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.449 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -126.79 138.4 53.35 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.544 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -122.6 145.25 48.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.41 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -127.24 113.02 15.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.497 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.7 131.85 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.941 . . . . 0.0 109.409 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.9 mt -99.74 128.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 109.483 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -51.11 108.08 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.0 109.494 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 24.8 pttm -92.85 -13.53 28.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.885 . . . . 0.0 109.444 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -100.65 130.93 46.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 0.0 109.512 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.82 142.41 11.04 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.665 ' C ' ' H ' ' A' ' 30' ' ' ALA . 8.5 tp -66.39 -28.37 68.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -1.171 . . . . 0.0 109.486 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.6 t -62.71 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.665 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.16 143.98 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.483 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.31 -22.88 5.25 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.88 134.87 35.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -1.151 . . . . 0.0 109.469 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.6 p -136.5 157.14 47.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.569 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -125.16 144.7 50.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.0 109.392 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -112.98 131.02 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.314 -0.866 . . . . 0.0 109.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -115.31 148.22 39.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -120.77 134.11 55.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.59 131.47 56.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -0.845 . . . . 0.0 109.473 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -103.41 170.84 5.73 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.284 -0.885 . . . . 0.0 109.459 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.12 -28.13 68.65 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.821 2.347 . . . . 0.0 112.257 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -72.46 -2.29 18.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.6 1.51 66.25 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.06 141.92 41.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -1.138 . . . . 0.0 109.452 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.97 142.15 27.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 0.0 109.455 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -126.46 151.64 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.776 ' O ' ' CB ' ' A' ' 47' ' ' SER . 29.3 mtm180 -135.67 108.48 7.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.776 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 22.3 p 98.53 152.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.457 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.768 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.9 tttm -56.19 -52.16 75.1 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.902 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.768 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 6.0 Cg_endo -49.2 -31.01 20.68 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.38 . . . . 0.0 112.332 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' OE1' ' NH2' ' A' ' 53' ' ' ARG . 13.5 tp60 -72.27 -55.91 6.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.753 HD23 ' O ' ' A' ' 51' ' ' LEU . 5.5 tt -68.41 -41.74 80.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.0 109.483 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -48.24 -49.19 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 0.0 109.568 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' NH2' ' OE1' ' A' ' 50' ' ' GLN . 86.2 mtm180 -59.51 -31.37 69.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.574 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.44 -51.12 68.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.525 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.29 -57.33 2.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 93.19 -108.55 3.68 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -91.49 -16.94 26.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -1.155 . . . . 0.0 109.533 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.13 33.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.42 137.13 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 109.436 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -97.19 115.09 26.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.883 . . . . 0.0 109.425 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.69 10.1 36.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.421 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -57.6 -42.76 83.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.281 -0.887 . . . . 0.0 109.521 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.7 13.82 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.95 . . . . 0.0 109.422 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 85.9 t80 -104.2 126.24 51.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 109.456 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.632 ' OD1' ' N ' ' A' ' 70' ' ' LYS . 5.3 p30 -91.71 -164.96 1.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 24.6 m-85 -127.59 -45.32 1.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.264 -0.898 . . . . 0.0 109.44 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HG3' ' NH1' ' A' ' 67' ' ' ARG . 4.5 mtm-85 -65.77 -41.43 92.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.505 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 70' ' ' LYS . 77.0 p -107.97 0.74 22.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.52 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 39.24 22.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.632 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 17.9 ttpt -81.92 164.19 21.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -1.132 . . . . 0.0 109.422 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.546 ' SD ' ' HB1' ' A' ' 12' ' ' ALA . 11.5 ttm -120.24 138.57 53.58 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -0.923 . . . . 0.0 109.508 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 -179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.845 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.462 3.256 1 C4'-C3'-C2' 110.97 7.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.566 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.461 3.146 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.547 ' N7 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.817 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.462 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.48 4.617 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.422 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.463 2 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.422 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.536 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.006 1 C4'-C3'-C2' 110.984 7.784 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.443 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.733 1 C4'-C3'-C2' 110.952 7.752 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.443 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.512 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.632 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.226 1 C4'-C3'-C2' 110.639 7.439 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.75 " O5'" ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.857 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.484 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.564 1 C4'-C3'-C2' 110.924 7.724 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.52 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.478 4.451 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.52 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.679 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.536 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.66 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.311 1 C4'-C3'-C2' 110.916 7.716 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.547 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.961 2 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.593 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.405 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.494 5.726 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.469 3.749 1 C4'-C3'-C2' 110.599 7.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -94.22 -10.54 32.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.615 ' O ' ' C ' ' A' ' 6' ' ' GLY . 88.9 mt-30 -104.14 1.85 31.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.258 -0.902 . . . . 0.0 109.448 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 29.84 38.02 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' A' ' 5' ' ' GLN . 34.3 ptt180 -81.34 149.76 28.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 0.0 109.51 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -141.92 150.69 41.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -77.73 156.31 30.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.438 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 117.48 43.73 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.57 -25.6 24.66 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.355 . . . . 0.0 112.268 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.68 -10.04 59.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -0.923 . . . . 0.0 109.453 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.63 146.99 41.13 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 Cg_exo -40.34 149.8 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.865 2.377 . . . . 0.0 112.149 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.5 Cg_exo -49.37 122.5 8.72 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.823 2.349 . . . . 0.0 112.28 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.77 -30.91 5.16 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -59.8 133.63 56.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -1.132 . . . . 0.0 109.424 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -126.43 151.23 48.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.92 . . . . 0.0 109.44 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -142.99 147.97 36.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 109.499 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.607 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 5.2 tp10 -141.59 140.82 33.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.403 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 42.8 tt0 -107.9 127.11 53.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -0.911 . . . . 0.0 109.486 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.91 131.43 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.862 . . . . 0.0 109.404 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.3 mt -101.53 124.27 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.486 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 105.46 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.487 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -93.39 -15.83 25.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 109.46 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -97.7 131.09 44.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.497 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.35 146.0 17.86 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' A' ' 30' ' ' ALA . 11.4 tp -62.85 -15.7 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.412 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 23.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.424 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.585 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.38 130.45 13.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.248 -0.908 . . . . 0.0 109.529 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 -25.86 4.98 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 131.35 38.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.28 -1.13 . . . . 0.0 109.398 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 p -140.38 159.42 42.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 0.0 109.536 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 66.1 t0 -130.71 151.75 50.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.421 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.597 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 28.4 t -100.77 128.07 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 109.497 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -113.61 144.65 42.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.56 135.24 53.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.297 -0.877 . . . . 0.0 109.499 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.76 130.55 56.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.508 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.459 ' HG ' ' HE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -83.59 166.39 34.67 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.309 -0.87 . . . . 0.0 109.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.56 -34.12 61.29 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.805 2.336 . . . . 0.0 112.233 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -70.33 -29.64 66.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.39 9.97 14.11 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HZ2' ' HE1' ' A' ' 45' ' ' PHE . 48.6 tttm -74.3 143.66 44.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 0.0 109.513 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -97.52 141.21 30.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 109.476 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.645 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 27.8 m-85 -130.66 166.92 19.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 109.495 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.707 ' O ' ' CB ' ' A' ' 47' ' ' SER . 20.9 mtm180 -143.57 117.92 9.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.707 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 t 91.7 161.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.224 -0.923 . . . . 0.0 109.456 176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 18.8 tptm -69.13 -43.84 26.1 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.0 109.555 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 52.2 Cg_exo -49.77 -38.54 47.09 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.805 2.337 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.645 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 tm0? -73.85 -49.35 25.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 109.589 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.72 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.557 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . . . -55.65 -42.03 74.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -64.37 -39.08 93.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.598 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.0 -49.01 74.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.474 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.21 -25.64 64.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 58' ' ' ALA . . . 66.68 -177.45 17.86 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.73 37.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -1.153 . . . . 0.0 109.501 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 56' ' ' GLY . . . -87.71 -22.1 24.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 109.497 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -146.17 151.27 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 36.1 p-10 -88.44 109.77 20.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.517 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.5 mt -97.63 12.25 34.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -51.59 -36.8 47.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.481 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 70' ' ' LYS . 80.2 m -83.46 11.61 6.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 109.449 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.435 ' CD2' ' HA2' ' A' ' 69' ' ' GLY . 29.0 t80 -95.32 113.29 24.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.176 -0.953 . . . . 0.0 109.478 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.628 ' C ' ' HG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.37 71.45 0.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 0.0 109.433 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' A' ' 67' ' ' ARG . 91.4 m-85 55.51 -152.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.452 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.587 HH21 ' CB ' ' A' ' 21' ' ' GLU . 43.4 ttm-85 -34.51 -35.23 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.17 -0.956 . . . . 0.0 109.445 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.628 ' HG1' ' C ' ' A' ' 65' ' ' ASP . 21.7 p -60.09 -43.08 95.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 109.467 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 32.38 84.13 0.01 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 63' ' ' CYS . 70.1 mmtt -121.81 158.62 28.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -1.112 . . . . 0.0 109.432 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' MET . 13.8 mtp -123.59 128.75 50.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' MET . 6.2 mmm . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.839 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.611 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.522 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.895 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.502 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.473 4.095 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.413 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.485 4.975 1 C4'-C3'-C2' 110.889 7.689 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.488 5.204 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.69 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.43 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.486 5.105 1 C4'-C3'-C2' 110.945 7.745 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.43 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.863 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.634 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.504 6.444 1 C4'-C3'-C2' 110.627 7.427 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.771 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.875 1 C4'-C3'-C2' 110.961 7.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.48 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.74 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.48 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.1 1 C4'-C3'-C2' 110.976 7.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.471 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.482 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.348 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.719 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.769 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.606 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.2 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.472 3.992 1 C4'-C3'-C2' 110.613 7.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -79.74 138.43 37.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.544 ' O ' ' C ' ' A' ' 6' ' ' GLY . 99.2 mt-30 -96.99 61.42 1.78 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.241 -0.912 . . . . 0.0 109.486 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 34.64 45.47 0.52 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.07 140.45 29.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -1.166 . . . . 0.0 109.534 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -141.96 151.69 42.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.64 153.41 40.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.0 109.484 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -106.27 117.43 57.32 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.45 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.42 -29.12 9.64 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.777 2.318 . . . . 0.0 112.238 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.625 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -84.07 -6.04 59.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.93 . . . . 0.0 109.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 51' ' ' LEU . 10.0 mp -121.18 149.3 51.32 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -40.3 146.08 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.827 2.351 . . . . 0.0 112.167 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.09 124.62 11.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.375 . . . . 0.0 112.25 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -32.36 4.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 51' ' ' LEU . 30.8 m95 -60.17 135.67 57.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.268 -1.137 . . . . 0.0 109.45 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.57 154.17 46.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.858 . . . . 0.0 109.401 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -144.96 150.6 37.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.222 -0.923 . . . . 0.0 109.487 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -126.62 155.46 42.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.414 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -126.29 114.39 18.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -112.54 131.08 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.398 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.0 mt -102.9 135.92 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.898 . . . . 0.0 109.496 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.638 ' HG2' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -47.93 105.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.49 -179.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.72 -16.96 34.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 m -108.56 134.08 51.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 138.99 8.45 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.684 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.9 tp -70.08 -34.07 72.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.237 -1.155 . . . . 0.0 109.407 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ALA . 50.8 m -61.97 25.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.476 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.684 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.39 153.08 0.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -178.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.21 -21.68 5.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.04 133.28 33.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -1.117 . . . . 0.0 109.512 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.6 p -138.73 158.95 43.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 55.6 t0 -127.79 146.88 50.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 0.0 109.463 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 60.9 t -113.55 133.32 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 0.0 109.475 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -115.59 147.29 40.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.195 -0.941 . . . . 0.0 109.474 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -124.4 138.42 54.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.31 130.04 56.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -86.22 164.62 37.71 Favored Pre-proline 0 N--CA 1.489 1.484 0 O-C-N 121.3 -0.875 . . . . 0.0 109.451 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.65 -26.74 80.57 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.842 2.361 . . . . 0.0 112.206 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.7 p -72.91 -26.92 61.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.907 . . . . 0.0 109.491 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 1.19 26.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -72.38 141.35 48.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.217 -1.167 . . . . 0.0 109.523 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -98.67 141.09 31.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 36.6 m-85 -132.29 167.46 19.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.171 -0.956 . . . . 0.0 109.483 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.711 ' O ' ' CB ' ' A' ' 47' ' ' SER . 53.4 mtm180 -145.34 120.95 10.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.451 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 92.44 154.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.484 177.565 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.32 -41.37 41.72 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.935 . . . . 0.0 109.489 -177.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.5 Cg_exo -52.08 -33.6 54.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.765 2.31 . . . . 0.0 112.324 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.624 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.2 tm0? -77.53 -47.17 20.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 13' ' ' LEU . 28.7 tp -64.67 -43.72 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.531 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.64 74.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -37.2 86.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.278 -0.889 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -63.92 -48.05 78.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.548 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 61' ' ' LEU . 95.4 mt -67.7 -26.44 66.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 -132.2 26.95 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -106.64 35.0 3.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.244 -1.15 . . . . 0.0 109.424 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.8 -21.94 15.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.17 147.61 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.918 . . . . 0.0 109.41 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -105.65 120.35 41.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.452 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 55' ' ' LEU . 96.0 mt -102.35 16.59 25.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 t -61.55 -44.04 97.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.465 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.08 -31.42 62.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.891 . . . . 0.0 109.483 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -72.81 120.17 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.234 -0.916 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.2 t0 -98.33 109.75 22.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 109.551 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 29.6 p90 -64.81 -44.42 89.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.469 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 6.8 tpm_? -46.95 -42.24 17.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -109.33 -5.44 15.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 0.0 109.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 58.28 31.2 65.56 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -115.66 158.44 22.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 ttt -120.6 131.82 54.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.284 -0.885 . . . . 0.0 109.498 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.1 mtp . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.507 -179.726 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.837 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.82 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.644 ' N7 ' " H2'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.462 3.211 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.523 ' N7 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.645 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.44 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.485 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.423 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.431 2 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.426 H5A3 HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.77 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.416 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.755 1 C4'-C3'-C2' 110.924 7.724 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.416 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.754 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.608 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.502 6.317 1 C4'-C3'-C2' 110.563 7.363 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.718 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.498 6.024 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.473 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.475 4.246 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.516 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.83 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.516 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.526 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.405 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.478 4.482 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.974 1 C4'-C3'-C2' 110.913 7.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.512 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.499 6.08 2 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.537 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.084 1 C4'-C3'-C2' 110.97 7.77 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.469 3.806 1 C4'-C3'-C2' 110.595 7.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 5' ' ' GLN . 54.7 p-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.277 0.561 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -68.91 62.68 0.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.448 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' O ' ' C ' ' A' ' 6' ' ' GLY . 26.7 pt20 -163.46 -16.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.478 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 31.43 -102.31 0.01 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.653 ' NH2' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -75.16 169.2 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -1.15 . . . . 0.0 109.504 -178.479 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' HH21 ' A' ' 7' ' ' ARG . 81.7 p -137.88 149.88 46.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.653 ' N ' ' NH2' ' A' ' 7' ' ' ARG . 22.2 t70 -71.44 146.03 48.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 0.0 109.437 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 t -121.84 116.97 30.02 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -70.26 -18.17 34.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.831 2.354 . . . . 0.0 112.262 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -77.18 -18.88 57.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 0.0 109.564 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' A' ' 17' ' ' TRP . 5.3 mp -117.59 148.78 43.68 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.43 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -41.74 153.91 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.786 2.324 . . . . 0.0 112.224 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -54.23 129.59 35.33 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.8 2.333 . . . . 0.0 112.215 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.02 -31.54 6.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CD2' HD23 ' A' ' 13' ' ' LEU . 40.0 m95 -56.56 135.97 54.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -1.156 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG2' HH11 ' A' ' 7' ' ' ARG . 52.9 mtmt -115.33 144.05 44.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE3' HG11 ' A' ' 35' ' ' VAL . 68.5 tttt -126.92 136.32 52.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.496 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -131.76 143.89 50.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.389 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 8.4 tm-20 -126.84 124.21 39.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.528 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -120.05 133.69 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.404 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.4 mt -100.47 136.56 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.604 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 15.2 mtt-85 -48.83 113.04 0.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 109.46 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -74.83 -2.42 26.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.503 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.727 ' O ' ' C ' ' A' ' 27' ' ' GLY . 4.2 p -81.22 -162.45 0.5 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.191 -0.943 . . . . 0.0 109.481 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.727 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -20.36 138.39 0.01 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' C ' ' H ' ' A' ' 30' ' ' ALA . 60.2 tp -64.14 -39.37 93.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -1.152 . . . . 0.0 109.448 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -59.66 6.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.484 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 24' ' ' ARG . . . -49.18 -75.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 0.0 109.45 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.4 -11.84 2.08 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 30' ' ' ALA . 10.6 mmmt -85.78 129.13 34.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.284 -1.127 . . . . 0.0 109.442 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 65.8 m -127.51 150.92 49.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.547 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -120.4 139.39 52.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.423 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 ' HE3' ' A' ' 19' ' ' LYS . 35.4 t -112.43 132.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 109.488 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -115.23 139.83 49.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.915 . . . . 0.0 109.495 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CD1' ' CE2' ' A' ' 66' ' ' PHE . 81.2 m-85 -120.91 135.32 55.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 109.498 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -116.68 133.3 56.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.216 -0.927 . . . . 0.0 109.482 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -105.7 166.05 12.01 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.278 -0.888 . . . . 0.0 109.424 179.482 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.2 Cg_endo -57.93 -18.22 34.18 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.852 2.368 . . . . 0.0 112.197 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.9 p -76.79 -16.29 59.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.428 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.74 -3.25 77.87 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.04 137.67 43.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -1.173 . . . . 0.0 109.543 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -93.97 138.38 32.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 109.454 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 45.6 m-85 -121.31 130.35 53.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.296 -0.877 . . . . 0.0 109.472 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -107.73 -3.09 19.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.391 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -152.17 152.36 32.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.286 -0.884 . . . . 0.0 109.459 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 17.9 ttpp -57.44 -50.79 86.14 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.536 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 4.6 Cg_endo -46.44 -31.09 9.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.917 2.411 . . . . 0.0 112.264 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -72.04 -52.6 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.518 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HH2' ' A' ' 17' ' ' TRP . 24.4 tp -65.78 -45.45 82.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.891 . . . . 0.0 109.573 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.5 -47.12 39.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.561 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.639 ' HG2' HH11 ' A' ' 53' ' ' ARG . 32.6 mtt-85 -63.62 -37.37 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.645 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -63.5 -51.99 63.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.11 -28.27 68.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 -146.31 40.33 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -93.05 40.51 1.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -1.136 . . . . 0.0 109.493 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.53 -19.69 13.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.477 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.27 143.69 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 109.404 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 38.3 p-10 -103.45 119.07 38.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.528 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.88 15.72 26.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.5 m -61.71 -43.59 98.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.49 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.9 m -71.21 -29.3 64.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 109.499 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 60.9 t80 -87.31 122.65 31.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.953 . . . . 0.0 109.477 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 69' ' ' GLY . 90.3 m-20 -104.94 131.26 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.468 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.642 ' CE2' ' CD1' ' A' ' 37' ' ' TYR . 3.5 m-85 -69.5 -40.28 77.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -53.81 -44.19 69.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.473 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.1 p -101.08 -18.31 16.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.438 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 59.9 37.55 92.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -133.09 161.36 34.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.3 -1.118 . . . . 0.0 109.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.6 ttm -114.41 132.77 56.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 ptt? . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.926 . . . . 0.0 109.449 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.721 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.495 5.778 1 C4'-C3'-C2' 111.0 7.8 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.507 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.473 4.072 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.508 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.474 4.176 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.432 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.481 4.695 1 C4'-C3'-C2' 110.916 7.716 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.965 1 C4'-C3'-C2' 110.922 7.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.735 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.448 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.782 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.448 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.607 1 C4'-C3'-C2' 110.883 7.683 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.644 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.246 1 C4'-C3'-C2' 110.635 7.435 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.815 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.5 6.152 1 C4'-C3'-C2' 110.96 7.76 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.475 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.64 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.486 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.787 1 C4'-C3'-C2' 110.943 7.743 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.486 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.371 1 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.409 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.51 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.48 4.65 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.508 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 5.986 1 C4'-C3'-C2' 110.902 7.702 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.611 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.414 1 C4'-C3'-C2' 111.032 7.832 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.465 3.443 1 C4'-C3'-C2' 110.605 7.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.78 -7.74 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.31 -0.869 . . . . 0.0 109.511 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' CG ' ' OE2' ' A' ' 20' ' ' GLU . 17.7 tt0 -166.22 -146.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.194 -0.941 . . . . 0.0 109.455 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.46 79.48 0.03 OUTLIER Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.656 ' HG2' HH11 ' A' ' 7' ' ' ARG . 1.2 ptt-85 -82.55 158.71 23.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -1.167 . . . . 0.0 109.537 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -141.67 151.88 43.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 109.429 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 38.7 t70 -75.69 158.0 32.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.232 -0.917 . . . . 0.0 109.487 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.2 116.9 58.64 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.185 -0.947 . . . . 0.0 109.456 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -74.23 -31.22 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.83 2.353 . . . . 0.0 112.255 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.691 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -80.54 -7.75 59.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 0.0 109.546 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 51' ' ' LEU . 10.9 mp -117.67 153.72 50.69 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.42 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -41.65 156.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.864 2.376 . . . . 0.0 112.177 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.11 120.77 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.769 2.313 . . . . 0.0 112.193 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.69 5.65 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.467 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 47.0 m95 -60.76 135.74 57.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -1.156 . . . . 0.0 109.465 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.41 152.52 47.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 9' ' ' ASP . 25.6 pttm -136.73 145.41 44.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.231 -0.918 . . . . 0.0 109.469 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 5' ' ' GLN . 84.6 tt0 -124.72 153.79 41.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 109.428 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -127.12 114.25 17.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 109.53 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -107.85 130.12 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 109.525 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.2 mt -99.0 120.56 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 105.14 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.355 -0.841 . . . . 0.0 109.453 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -100.09 -8.28 23.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.357 -0.84 . . . . 0.0 109.52 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -89.52 129.57 35.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.532 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 154.37 26.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.842 HD13 ' C ' ' A' ' 28' ' ' LEU . 3.1 tm? -64.07 -38.9 92.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -1.164 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -61.74 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.892 . . . . 0.0 109.465 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.06 142.46 16.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.83 -23.61 4.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.653 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 88.1 tttt -76.06 137.71 40.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.153 . . . . 0.0 109.449 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.601 ' CB ' HH22 ' A' ' 67' ' ' ARG . 61.2 p -135.36 156.29 49.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.465 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -130.76 152.22 50.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.331 -0.856 . . . . 0.0 109.434 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.89 131.72 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -115.27 150.35 36.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.917 . . . . 0.0 109.412 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -125.38 139.37 53.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -122.17 136.87 54.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.261 -0.9 . . . . 0.0 109.535 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.3 p -104.31 171.48 5.0 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 0.0 109.444 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.55 -23.35 64.42 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -73.08 -2.08 19.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.538 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.56 0.42 54.02 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 32.9 ttpt -73.88 142.72 46.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.287 -1.125 . . . . 0.0 109.551 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -91.05 138.59 31.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 57.0 m-85 -123.54 154.02 39.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 47' ' ' SER . 61.9 mtm180 -139.36 113.3 8.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.483 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.724 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 6.0 p 93.36 154.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.894 . . . . 0.0 109.461 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 26.2 tttt -61.74 -43.56 88.17 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.443 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 53.3 Cg_exo -48.53 -38.56 35.86 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.893 2.396 . . . . 0.0 112.275 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.629 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 34.8 tp60 -72.4 -51.31 20.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 13' ' ' LEU . 41.5 tp -63.94 -43.24 96.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.86 65.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.184 -0.947 . . . . 0.0 109.609 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.629 ' NH2' ' NE2' ' A' ' 50' ' ' GLN . 48.8 mtm-85 -62.26 -36.52 82.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.316 -0.865 . . . . 0.0 109.586 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.76 -51.41 62.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 61' ' ' LEU . 1.5 mp -63.85 -26.13 68.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.08 -137.09 35.54 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -107.27 35.59 3.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.63 -22.23 18.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' HB ' HD23 ' A' ' 55' ' ' LEU . 41.3 t -146.92 152.96 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -99.76 116.43 31.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 55' ' ' LEU . 95.7 mt -96.39 12.29 31.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -60.07 -43.08 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.32 13.64 5.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.51 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -112.13 125.15 53.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -80.39 -172.28 3.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.0 109.427 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 47' ' ' SER . 61.5 t80 -132.01 -56.12 0.98 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.524 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -59.85 -44.76 93.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 69' ' ' GLY . 24.5 p -101.76 1.09 36.91 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.287 -0.883 . . . . 0.0 109.479 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 35.33 78.25 0.04 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -145.65 167.78 22.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -1.089 . . . . 0.0 109.536 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mmt -111.02 134.95 52.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.494 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.229 -0.92 . . . . 0.0 109.437 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.846 " O5'" ' H8 ' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.616 1 C4'-C3'-C2' 110.937 7.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.645 ' N7 ' " H2'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.463 3.284 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.538 ' N7 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.927 1 C4'-C3'-C2' 110.892 7.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.412 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.092 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.565 1 C4'-C3'-C2' 110.982 7.782 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.975 1 C4'-C3'-C2' 110.942 7.742 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.417 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.637 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.417 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.882 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.626 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . 0.409 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.498 6.022 1 C4'-C3'-C2' 110.585 7.385 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.76 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.819 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.47 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.605 1 C4'-C3'-C2' 110.89 7.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.513 ' C8 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.484 4.944 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.653 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.779 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.511 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.957 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.518 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.954 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.156 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.634 1 C4'-C3'-C2' 110.594 7.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' GLN . 99.5 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 48.45 19.19 0.21 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.14 -0.975 . . . . 0.0 109.462 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' ASP . 24.6 pt20 -95.39 50.5 1.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.69 155.51 35.51 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.32 168.39 20.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -1.127 . . . . 0.0 109.507 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 p -141.11 150.24 42.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.883 . . . . 0.0 109.449 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -82.64 154.09 25.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.436 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 131.16 21.94 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.428 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -72.71 -24.53 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.86 2.374 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.08 -41.52 11.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.475 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.9 mm? -73.13 143.42 83.58 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.46 152.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.194 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -50.53 123.25 11.0 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.86 2.374 . . . . 0.0 112.198 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.82 -30.7 6.71 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 21.6 m95 -60.67 136.62 58.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -1.18 . . . . 0.0 109.462 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.58 152.09 42.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -135.2 144.16 46.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.476 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -132.02 148.94 52.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.443 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.9 122.83 35.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -113.34 130.83 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -101.09 132.14 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.205 -0.934 . . . . 0.0 109.45 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.04 106.93 0.22 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.536 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -91.61 -12.37 34.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.427 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -102.32 131.53 48.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.43 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.71 143.04 11.02 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.689 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.3 tp -70.26 -33.19 71.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -1.114 . . . . 0.0 109.487 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 30' ' ' ALA . 5.8 t -61.81 25.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.237 -0.914 . . . . 0.0 109.443 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.42 149.65 0.11 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.0 109.5 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.12 -21.2 5.54 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' NZ ' ' N4 ' ' C' ' 114' ' ' ' DC' . 54.0 tttt -80.67 125.84 30.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 0.0 109.492 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 m -132.1 154.69 49.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -0.918 . . . . 0.0 109.524 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -126.86 147.17 50.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 t -105.9 130.18 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.261 -0.899 . . . . 0.0 109.566 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -115.55 140.55 49.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 109.394 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -123.45 139.07 54.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -114.39 131.05 56.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.473 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.597 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -99.67 165.54 14.49 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.06 -19.6 49.56 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.807 2.338 . . . . 0.0 112.227 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -5.18 54.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 0.0 109.459 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.04 88.44 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.39 138.51 36.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.145 . . . . 0.0 109.49 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -99.58 147.1 25.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 0.0 109.419 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.58 156.37 34.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.549 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 64.2 mtm180 -132.63 109.35 9.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.431 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.1 p 91.35 158.79 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.937 . . . . 0.0 109.449 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.7 ttmt -62.32 -44.85 89.46 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.484 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.0 Cg_exo -48.43 -35.38 28.07 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.896 2.397 . . . . 0.0 112.262 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -78.46 -51.12 10.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.2 -43.33 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.557 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.19 -45.87 75.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.532 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -60.49 -33.55 72.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.556 -179.595 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.43 -51.63 62.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.2 mt -73.09 -34.18 66.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.591 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.78 -171.02 54.54 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' VAL . 66.3 m-20 -63.15 -22.57 66.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 0.0 109.436 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.3 -22.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.494 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.0 t -140.32 140.08 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.07 117.51 34.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.248 -0.908 . . . . 0.0 109.485 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.56 16.56 21.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.44 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -58.56 -44.02 89.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.49 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 70.2 m -86.19 11.35 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.928 . . . . 0.0 109.5 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -113.28 113.28 25.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -100.89 108.21 19.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.447 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CZ ' ' NH1' ' A' ' 67' ' ' ARG . 8.2 p90 -61.91 -34.56 76.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 109.401 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.785 ' HG2' HH11 ' A' ' 67' ' ' ARG . 1.7 mmt-85 -35.4 -47.81 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.173 -0.954 . . . . 0.0 109.511 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -124.38 12.3 8.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.912 . . . . 0.0 109.495 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.95 41.71 52.71 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.36 152.64 27.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.236 -1.155 . . . . 0.0 109.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttm -120.76 130.51 54.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.486 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 -179.801 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.691 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.928 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.447 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.474 1 C4'-C3'-C2' 110.86 7.66 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.541 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.427 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.408 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.485 5.013 1 C4'-C3'-C2' 110.89 7.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.408 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.497 5.894 2 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.408 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.407 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.927 1 C4'-C3'-C2' 110.902 7.702 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.4 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.488 5.194 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.4 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.481 1 C4'-C3'-C2' 110.897 7.697 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.61 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.964 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.876 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.035 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.503 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.472 4.007 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.503 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.47 1 C4'-C3'-C2' 110.975 7.775 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.66 ' N4 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.478 4.448 1 C4'-C3'-C2' 110.996 7.796 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.407 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.679 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.19 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.92 2 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.613 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.692 1 C4'-C3'-C2' 110.958 7.758 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.419 1 C4'-C3'-C2' 110.6 7.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -63.03 -39.45 94.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HG2' ' H ' ' A' ' 6' ' ' GLY . 35.3 tt0 -92.09 176.62 6.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.501 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 108.5 147.37 12.63 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.744 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.2 OUTLIER -81.91 164.61 21.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.295 -1.121 . . . . 0.0 109.552 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.3 p -137.21 147.6 45.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.209 -0.932 . . . . 0.0 109.449 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.41 153.32 38.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.557 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -69.89 129.52 90.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.317 -0.864 . . . . 0.0 109.467 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.64 -49.97 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.244 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 -28.45 8.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -0.929 . . . . 0.0 109.477 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.15 148.66 95.99 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.4 Cg_exo -41.2 147.3 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.84 2.36 . . . . 0.0 112.164 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 53.2 Cg_exo -52.44 127.32 23.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.814 2.343 . . . . 0.0 112.219 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.46 -35.23 3.81 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 39' ' ' SER . 71.7 m95 -62.52 138.9 58.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.414 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HD3' ' HE ' ' A' ' 7' ' ' ARG . 99.5 mttt -124.25 148.88 47.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.432 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -118.58 134.19 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -127.18 148.95 50.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.893 . . . . 0.0 109.477 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.22 118.46 21.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.0 109.476 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -115.18 133.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.48 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -100.78 129.46 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 109.476 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -55.53 114.35 1.81 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.472 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.49 -16.76 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.279 -0.888 . . . . 0.0 109.511 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -102.55 130.9 49.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.9 141.84 9.98 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.1 tp -61.12 -15.77 36.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.188 -1.184 . . . . 0.0 109.48 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -72.43 23.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.501 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -46.6 129.91 11.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.19 -0.944 . . . . 0.0 109.403 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.48 -23.89 5.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 134.29 39.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -1.148 . . . . 0.0 109.439 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 15.3 t -133.45 154.8 50.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -126.89 146.97 50.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' NH2' ' A' ' 67' ' ' ARG . 2.6 t -108.12 129.39 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.24 -0.913 . . . . 0.0 109.508 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -114.68 148.04 38.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.431 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -117.44 130.11 56.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.189 -0.945 . . . . 0.0 109.468 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.39 133.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -107.75 171.57 4.49 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.916 . . . . 0.0 109.497 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.59 -20.21 8.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.314 . . . . 0.0 112.23 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.1 p -78.54 -0.88 31.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.477 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.29 3.12 36.95 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -75.8 144.83 41.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -1.187 . . . . 0.0 109.557 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.54 140.02 29.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 109.418 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -125.67 146.52 49.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 47' ' ' SER . 4.8 ptm180 -149.24 68.59 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.417 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 157.61 118.08 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.479 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 24.3 ttpt -51.1 -43.06 84.02 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 109.553 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 32.5 Cg_exo -57.68 -30.15 87.9 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.867 2.378 . . . . 0.0 112.314 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -74.37 -53.96 8.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 109.569 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 51' ' ' LEU . 2.3 tt -62.66 -44.37 96.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.99 61.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.233 -0.917 . . . . 0.0 109.567 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.93 -34.11 77.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.891 . . . . 0.0 109.581 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.54 -51.93 63.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.918 . . . . 0.0 109.57 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.8 mt -66.63 -21.7 66.12 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 109.606 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.4 -132.73 35.65 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -105.07 33.33 3.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 109.463 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.17 -23.75 16.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.481 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -144.3 147.33 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.487 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' C ' HD12 ' A' ' 61' ' ' LEU . 97.5 m-20 -98.67 115.91 29.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.0 109.485 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.3 mp -105.0 12.6 32.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.7 m -63.5 -43.89 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 0.0 109.433 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 72' ' ' MET . 90.1 m -69.17 -33.99 74.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.204 -0.935 . . . . 0.0 109.432 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.57 125.83 27.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.238 -0.914 . . . . 0.0 109.494 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -79.01 -159.49 0.19 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 109.457 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -135.14 -53.68 0.79 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.445 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NH1' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -68.89 -39.16 79.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 109.488 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.4 p -97.74 -12.48 22.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.96 44.55 32.13 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -117.5 157.54 26.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -1.129 . . . . 0.0 109.415 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 tpt -80.25 148.28 30.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.476 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.431 ' H ' ' HB3' ' A' ' 63' ' ' CYS . 97.0 mtp . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.653 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.838 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.416 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.486 5.071 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.478 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.484 4.901 1 C4'-C3'-C2' 110.883 7.683 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.089 1 C4'-C3'-C2' 110.912 7.712 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.994 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.365 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.403 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.492 5.567 1 C4'-C3'-C2' 110.947 7.747 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.123 1 C4'-C3'-C2' 110.961 7.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.65 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.507 6.727 1 C4'-C3'-C2' 110.606 7.406 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.658 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.96 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.438 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.942 1 C4'-C3'-C2' 110.975 7.775 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.421 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.495 5.8 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.49 5.379 1 C4'-C3'-C2' 110.882 7.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.476 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.923 1 C4'-C3'-C2' 110.852 7.652 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.664 1 C4'-C3'-C2' 110.935 7.735 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.478 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 6.019 2 C4'-C3'-C2' 110.944 7.744 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.599 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 6.004 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.468 3.71 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' GLN . 98.7 mttt -74.11 137.63 43.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.513 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LYS . 94.0 mt-30 42.32 -112.22 0.19 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.542 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.16 47.58 0.35 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' NH1' ' HD3' ' A' ' 18' ' ' LYS . 15.9 ttp180 -86.6 136.77 32.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -1.136 . . . . 0.0 109.509 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.4 p -141.93 152.2 43.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.236 -0.915 . . . . 0.0 109.406 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 53.5 p30 -75.99 157.68 32.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.442 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 13' ' ' LEU . 4.3 t -114.4 116.95 43.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.951 . . . . 0.0 109.423 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -72.31 -23.51 20.66 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.84 2.36 . . . . 0.0 112.231 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.19 -10.62 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 10' ' ' CYS . 5.4 mp -121.35 147.65 47.82 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 109.475 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -41.04 151.12 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.847 2.365 . . . . 0.0 112.139 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.8 125.62 14.78 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.856 2.37 . . . . 0.0 112.253 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.15 -32.19 4.64 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 13' ' ' LEU . 28.5 m95 -60.44 133.54 56.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -1.104 . . . . 0.0 109.408 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD3' ' NH1' ' A' ' 7' ' ' ARG . 20.7 mttp -130.37 156.27 45.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 0.0 109.471 -178.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' NZ ' ' HA3' ' A' ' 69' ' ' GLY . 17.3 ptmt -148.27 152.57 37.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.0 109.484 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -126.69 158.07 37.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -127.32 115.31 18.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.59 131.8 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -102.94 133.01 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 0.0 109.418 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -61.41 107.25 0.75 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -94.82 -8.03 38.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.0 109.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -97.66 130.64 44.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.495 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 146.57 16.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' C ' ' H ' ' A' ' 30' ' ' ALA . 62.5 tp -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -1.18 . . . . 0.0 109.448 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.0 m -61.32 25.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.691 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.12 147.32 0.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.516 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.44 -21.75 5.37 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.06 125.44 30.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 0.0 109.51 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -132.05 154.29 49.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.926 . . . . 0.0 109.514 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 65.8 t0 -127.26 146.69 50.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.555 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 75.6 t -113.24 132.39 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 0.0 109.523 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.79 145.76 40.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.62 134.08 55.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.502 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -113.12 129.45 56.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.923 . . . . 0.0 109.528 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.68 161.57 26.16 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.457 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.16 -18.61 30.22 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.845 2.363 . . . . 0.0 112.244 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -81.37 -8.0 59.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.413 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 -2.14 81.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.11 137.71 40.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -1.149 . . . . 0.0 109.459 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.28 142.88 29.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.531 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.2 163.8 25.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 mtm180 -142.47 119.21 11.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 0.0 109.458 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.74 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.5 m 94.7 154.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.0 109.493 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.852 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -60.8 -48.01 94.14 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.529 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.852 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.9 Cg_endo -53.66 -29.91 53.25 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.79 2.327 . . . . 0.0 112.322 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 46' ' ' ARG . 9.6 tp-100 -76.04 -53.03 8.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.447 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.8 ' C ' HD23 ' A' ' 51' ' ' LEU . 6.8 tt -64.81 -44.75 88.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.67 76.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.578 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.475 HH11 ' HG3' ' A' ' 53' ' ' ARG . 52.0 ttm-85 -62.41 -36.25 81.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 109.672 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.84 -47.25 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.555 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 55' ' ' LEU . 90.6 mt -75.39 -31.4 60.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.875 . . . . 0.0 109.625 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.16 -173.62 48.29 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' VAL . 83.3 m-20 -64.48 -23.73 67.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.98 -24.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.892 . . . . 0.0 109.406 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.1 t -140.57 140.41 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -107.41 120.66 42.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.547 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 5.3 mp -103.19 23.17 12.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 0.0 109.473 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.5 p -60.77 -35.71 77.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.453 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.7 t -82.05 10.9 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.421 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 65' ' ' ASP . 88.2 t80 -128.51 129.2 45.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.491 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 38.9 t0 -80.04 -149.47 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.728 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 33.0 p90 -157.71 -56.54 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.462 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.728 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 14.7 ptm180 -54.05 -32.51 54.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 109.448 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -108.88 -36.96 5.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.865 . . . . 0.0 109.458 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' HA3' ' NZ ' ' A' ' 19' ' ' LYS . . . 83.22 64.23 1.67 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -138.41 158.81 43.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.289 -1.124 . . . . 0.0 109.434 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.3 tpt -97.18 144.36 27.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.41 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.223 -0.923 . . . . 0.0 109.436 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.669 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.692 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.489 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.41 1 C4'-C3'-C2' 110.887 7.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.533 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.476 4.3 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.428 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.49 5.362 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.436 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.49 5.408 2 C4'-C3'-C2' 110.912 7.712 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.436 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.565 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.94 1 C4'-C3'-C2' 110.941 7.741 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.444 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.777 1 C4'-C3'-C2' 110.861 7.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.444 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.726 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.61 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.506 6.646 1 C4'-C3'-C2' 110.553 7.353 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.854 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.857 1 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.525 ' N7 ' " H2'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.472 4.019 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.475 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.48 4.634 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.468 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.687 1 C4'-C3'-C2' 110.934 7.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.424 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.565 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.436 1 C4'-C3'-C2' 110.854 7.654 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.074 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.499 6.072 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.623 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.747 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.38 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -78.06 141.61 38.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.301 -0.874 . . . . 0.0 109.514 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 45.99 -151.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.36 -58.75 0.04 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.61 170.06 16.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 109.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -141.09 149.85 42.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.449 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.98 150.44 40.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.484 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 126.51 30.59 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 109.448 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.16 -31.16 7.99 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.803 2.336 . . . . 0.0 112.204 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.65 57.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 81.7 mt -110.56 144.61 30.57 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.427 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -41.66 159.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.809 2.339 . . . . 0.0 112.155 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.57 125.39 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.862 2.375 . . . . 0.0 112.246 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.63 -31.26 6.23 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.626 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 52.7 m95 -59.51 137.48 58.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.0 150.38 44.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.437 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -131.75 141.29 49.47 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -127.62 149.46 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.393 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -126.71 116.52 21.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.16 -0.963 . . . . 0.0 109.503 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.5 t -115.15 131.78 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.414 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.26 133.71 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.179 -0.951 . . . . 0.0 109.526 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -64.11 110.89 2.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 109.434 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' H ' ' CD ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.9 -6.19 39.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 30.8 t -98.16 129.53 44.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 0.0 109.494 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.76 16.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.697 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.8 tp -69.02 -32.37 71.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -1.153 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 30' ' ' ALA . 90.6 p -60.77 24.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.697 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.27 145.26 0.25 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.224 -0.922 . . . . 0.0 109.552 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.51 -20.84 5.48 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' NZ ' ' N4 ' ' C' ' 114' ' ' ' DC' . 89.1 tttt -81.66 128.8 34.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -1.14 . . . . 0.0 109.495 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.6 p -131.56 153.43 49.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -124.4 143.66 50.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.279 -0.888 . . . . 0.0 109.394 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.1 132.5 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -117.52 144.44 45.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.283 -0.886 . . . . 0.0 109.424 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -118.35 132.3 56.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -119.64 134.45 55.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.533 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.626 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -115.46 171.43 4.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.421 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.41 -33.61 57.5 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.839 2.359 . . . . 0.0 112.212 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -60.4 -16.6 37.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.81 -2.75 85.7 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 87.6 tttt -76.51 142.81 40.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -1.125 . . . . 0.0 109.496 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -90.13 137.6 32.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 74.7 m-85 -123.93 151.03 44.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 109.459 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.7 mtm180 -136.53 110.08 8.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 92.42 162.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.882 . . . . 0.0 109.494 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.53 -42.51 20.06 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 109.458 -178.092 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.7 Cg_exo -48.0 -39.34 32.78 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.879 2.386 . . . . 0.0 112.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 41.0 tt0 -78.93 -56.27 4.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 51' ' ' LEU . 8.5 tt -60.19 -19.47 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 0.0 109.552 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -76.22 -43.74 40.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.616 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.6 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 59.0 mtm-85 -61.11 -34.35 74.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.638 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -65.8 -52.48 50.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD11 ' CZ2' ' A' ' 17' ' ' TRP . 9.4 mp -62.68 -29.92 71.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.164 -0.96 . . . . 0.0 109.573 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.47 -139.64 37.73 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -100.1 34.46 2.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -1.177 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.86 -21.04 17.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.476 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -146.7 152.24 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.0 109.419 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.525 ' C ' HD12 ' A' ' 61' ' ' LEU . 40.9 t0 -104.72 119.75 39.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.169 -0.957 . . . . 0.0 109.483 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.5 mp -106.71 17.66 22.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 109.466 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -58.92 -41.74 88.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 109.499 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -87.16 30.26 0.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.95 121.39 44.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.33 167.77 20.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 16.5 m-85 -100.01 -55.8 2.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.721 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -76.77 -39.25 52.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.154 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 70' ' ' LYS . 30.7 p -93.98 -9.11 38.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 39.01 24.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 68' ' ' THR . 19.9 ttmt -94.46 167.63 11.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -1.156 . . . . 0.0 109.507 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' MET . 2.9 mmt -77.06 142.12 39.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.485 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' MET . 52.4 ttp . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.913 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.825 1 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.47 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.476 4.298 1 C4'-C3'-C2' 110.978 7.778 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.525 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.499 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.426 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.491 5.467 1 C4'-C3'-C2' 110.889 7.689 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.466 2 C4'-C3'-C2' 110.971 7.771 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.953 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.427 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.484 4.91 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.427 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.486 5.102 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.619 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.09 1 C4'-C3'-C2' 110.576 7.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.845 " O5'" ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.135 1 C4'-C3'-C2' 111.009 7.809 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.512 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.476 4.307 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.512 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.388 1 C4'-C3'-C2' 110.892 7.692 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.512 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.407 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.426 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.48 4.577 1 C4'-C3'-C2' 110.887 7.687 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.332 1 C4'-C3'-C2' 110.911 7.711 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.525 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.782 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.546 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.972 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.412 1 C4'-C3'-C2' 110.629 7.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.66 144.93 31.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.477 ' HG3' ' H ' ' A' ' 6' ' ' GLY . 3.5 tp60 -76.97 -172.5 2.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.219 -0.926 . . . . 0.0 109.482 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.477 ' H ' ' HG3' ' A' ' 5' ' ' GLN . . . -154.75 36.29 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 5' ' ' GLN . 89.5 mtm180 -88.49 142.1 27.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -1.105 . . . . 0.0 109.523 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -141.79 154.62 45.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.78 152.43 42.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.136 -0.978 . . . . 0.0 109.439 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.0 121.21 48.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 0.0 109.463 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.86 -30.43 11.3 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.917 2.412 . . . . 0.0 112.267 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.93 -12.59 58.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 17' ' ' TRP . 9.5 mp -114.27 150.64 44.04 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 109.535 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.0 Cg_exo -42.88 154.9 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 112.21 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 42.0 Cg_exo -54.24 126.33 21.79 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.831 2.354 . . . . 0.0 112.268 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.83 -31.46 5.52 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CH2' ' CD2' ' A' ' 51' ' ' LEU . 51.5 m95 -59.88 139.25 57.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -1.149 . . . . 0.0 109.436 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.5 154.52 45.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HZ1' ' C ' ' A' ' 69' ' ' GLY . 14.6 ptpt -138.11 147.08 43.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -132.89 152.58 51.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -128.12 121.73 30.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.84 134.38 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.447 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -101.62 144.15 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 83.5 mtt180 -58.75 114.47 2.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.506 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -1.58 24.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.922 . . . . 0.0 109.457 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.806 ' O ' ' O ' ' A' ' 27' ' ' GLY . 4.1 t -80.02 -162.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.28 -0.887 . . . . 0.0 109.495 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' A' ' 26' ' ' SER . . . -16.91 138.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -175.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.715 ' C ' ' H ' ' A' ' 30' ' ' ALA . 56.2 tp -63.81 -37.87 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.225 -1.162 . . . . 0.0 109.446 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -55.78 9.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.26 -0.9 . . . . 0.0 109.433 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.715 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.5 -80.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.257 -0.902 . . . . 0.0 109.493 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 -17.01 0.21 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' H ' ' C ' ' A' ' 30' ' ' ALA . 98.4 mttt -81.34 130.28 34.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -1.149 . . . . 0.0 109.51 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.2 p -123.11 147.49 46.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.0 109.473 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.57 134.81 54.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.885 . . . . 0.0 109.455 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.03 130.48 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.44 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -116.41 144.62 44.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 109.441 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -117.3 129.85 56.16 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 109.501 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.89 128.84 55.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.152 -0.968 . . . . 0.0 109.503 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -112.33 167.72 8.73 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.405 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 17.2 Cg_endo -56.8 -20.43 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.859 2.373 . . . . 0.0 112.18 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.2 -17.29 61.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.424 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.26 -2.45 88.15 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.35 141.48 36.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.514 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -88.84 138.29 31.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.462 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -126.54 155.37 42.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' SER . 1.5 ptm180 -160.57 78.98 0.64 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 158.45 117.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.47 -179.234 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.688 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.7 tttp -43.31 -54.72 9.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.512 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.688 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 15.6 Cg_endo -56.75 -23.71 51.34 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.861 2.374 . . . . 0.0 112.275 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -73.38 -51.79 16.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 109.592 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' ' CH2' ' A' ' 17' ' ' TRP . 20.8 mt -64.03 -44.65 91.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 0.0 109.521 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.13 -41.55 60.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.582 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.696 ' CG ' HH11 ' A' ' 53' ' ' ARG . 2.0 ttt-85 -66.51 -38.7 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.71 -52.32 61.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.497 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 61' ' ' LEU . 97.5 mt -63.47 -23.01 67.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.557 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.81 -135.38 35.31 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.94 33.87 2.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -1.155 . . . . 0.0 109.535 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.52 -22.89 13.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.399 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HB ' HD13 ' A' ' 55' ' ' LEU . 88.4 t -141.85 142.99 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.302 -0.874 . . . . 0.0 109.493 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -101.72 118.92 37.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.488 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 55' ' ' LEU . 94.3 mt -107.1 18.6 21.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.487 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.86 31.97 0.61 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.432 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -110.18 123.76 50.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.0 109.449 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.43 -179.4 7.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.47 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -118.2 -55.54 2.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.697 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -52.1 -44.44 64.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.403 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.605 ' O ' ' C ' ' A' ' 69' ' ' GLY . 67.8 p -113.37 10.72 18.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.45 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 30.42 47.26 0.13 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' THR . 8.9 tptp -104.12 170.52 7.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -1.175 . . . . 0.0 109.463 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.4 tpp -100.13 140.71 33.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 109.442 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 109.464 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.673 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.704 1 C4'-C3'-C2' 110.937 7.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.486 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.45 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.486 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.834 1 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.448 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.483 4.859 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.423 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.487 5.174 1 C4'-C3'-C2' 110.87 7.67 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.423 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.476 4.275 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.461 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.619 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.461 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.597 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.535 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . 0.401 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.506 6.592 1 C4'-C3'-C2' 110.568 7.368 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.797 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.498 5.989 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.494 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.543 1 C4'-C3'-C2' 110.881 7.681 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.508 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.481 4.696 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.526 ' OP2' ' CZ ' ' A' ' 67' ' ' ARG . . . . . . . . 1 O4'--C1' 1.479 4.53 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . 0.546 ' P ' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.416 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.683 1 C4'-C3'-C2' 111.012 7.812 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.493 5.603 1 C4'-C3'-C2' 110.85 7.65 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.628 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.406 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.492 5.551 1 C4'-C3'-C2' 110.982 7.782 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.411 1 C4'-C3'-C2' 110.618 7.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.294 0.569 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 53.1 mtpt -80.7 153.15 28.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.206 -0.933 . . . . 0.0 109.414 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 1.8 tp-100 78.47 106.91 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.938 . . . . 0.0 109.418 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . -113.5 -36.85 1.38 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 HH21 ' HB2' ' A' ' 18' ' ' LYS . 75.8 mtp180 -75.16 155.54 36.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -1.136 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -140.88 146.01 36.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.152 -0.968 . . . . 0.0 109.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -76.41 160.29 29.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.56 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -107.94 114.83 59.58 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 109.458 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.32 -30.64 93.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.8 2.334 . . . . 0.0 112.219 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.84 -13.5 57.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.91 HD23 ' CD2' ' A' ' 17' ' ' TRP . 10.8 mp -113.34 154.29 45.39 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.0 109.472 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.68 156.18 19.46 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.864 2.376 . . . . 0.0 112.191 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.55 125.73 14.62 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.841 2.36 . . . . 0.0 112.228 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.48 -33.02 4.29 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.91 ' CD2' HD23 ' A' ' 13' ' ' LEU . 37.1 m95 -63.61 133.48 53.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.26 -1.141 . . . . 0.0 109.483 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB2' HH21 ' A' ' 7' ' ' ARG . 68.3 mttm -137.4 160.93 37.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.513 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -148.86 154.91 40.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 6' ' ' GLY . 52.8 tp10 -140.12 138.41 35.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -102.33 127.05 49.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.219 -0.926 . . . . 0.0 109.544 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.0 133.45 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.311 -0.868 . . . . 0.0 109.411 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 97.2 mt -103.31 141.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.456 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' ILE . 21.8 mmt180 -42.51 119.83 1.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 0.0 109.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -32.94 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.489 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 m -128.19 153.74 46.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.513 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 142.48 9.23 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.7 tp -65.04 -32.39 74.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -1.14 . . . . 0.0 109.529 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -62.81 24.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.925 . . . . 0.0 109.496 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.682 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.72 133.86 20.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 109.472 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.62 -24.61 4.88 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' NZ ' ' C8 ' ' C' ' 113' ' ' ' DG' . 15.8 tttp -69.25 126.09 28.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.233 -1.157 . . . . 0.0 109.412 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 3.7 p -119.78 146.0 46.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -176.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -125.98 143.69 50.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.26 -0.9 . . . . 0.0 109.395 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.64 129.13 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 0.0 109.576 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.78 146.8 36.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 7.9 m-85 -122.1 135.82 54.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 109.442 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.86 135.02 55.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.501 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.631 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -95.93 166.41 14.49 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 20.4 Cg_endo -60.57 -15.81 38.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.817 2.345 . . . . 0.0 112.246 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.5 p -81.06 -6.03 58.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.35 -4.11 85.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.91 142.88 39.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -1.145 . . . . 0.0 109.517 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -98.14 146.31 25.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.73 167.91 20.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.2 ttp180 -163.06 83.64 0.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.935 . . . . 0.0 109.443 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 155.95 124.29 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.333 -0.854 . . . . 0.0 109.449 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.785 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -49.54 -49.29 72.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.902 . . . . 0.0 109.479 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.785 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 24.5 Cg_endo -61.74 -24.54 77.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.827 2.351 . . . . 0.0 112.262 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.55 -49.86 36.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.917 . . . . 0.0 109.56 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.8 mp -65.64 -42.08 91.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 0.0 109.553 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.54 -44.41 65.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.307 -0.871 . . . . 0.0 109.546 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.717 ' HG2' HH11 ' A' ' 53' ' ' ARG . 18.7 mtt-85 -67.11 -35.64 80.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.887 . . . . 0.0 109.583 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.36 -50.93 61.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -0.894 . . . . 0.0 109.506 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.71 -24.91 62.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.913 . . . . 0.0 109.615 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.11 -132.9 31.0 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ALA . 97.2 m-20 -96.73 -22.04 17.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -1.134 . . . . 0.0 109.45 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -43.97 -28.7 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -0.938 . . . . 0.0 109.482 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -142.19 142.91 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.0 109.475 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 45.2 p-10 -105.46 120.12 40.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.498 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mp -106.24 17.85 22.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 m -63.64 -43.37 96.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.278 -0.889 . . . . 0.0 109.441 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.493 ' HB3' ' H ' ' A' ' 72' ' ' MET . 85.8 m -71.58 -34.53 70.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.0 109.49 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 62.6 t80 -79.57 129.3 34.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.213 -0.93 . . . . 0.0 109.456 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -80.17 -141.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.31 -0.869 . . . . 0.0 109.431 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.546 ' N ' ' CD1' ' A' ' 66' ' ' PHE . 5.2 p90 -154.47 -49.06 0.09 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.483 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 10.1 mmm180 -65.86 -45.12 83.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 0.0 109.458 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -106.13 -9.84 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.184 -0.948 . . . . 0.0 109.434 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.406 ' HA2' ' CZ ' ' A' ' 64' ' ' PHE . . . 53.92 72.77 0.49 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -134.93 147.69 49.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -1.123 . . . . 0.0 109.437 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mmt -83.29 146.82 28.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.493 ' H ' ' HB3' ' A' ' 63' ' ' CYS . 78.0 mtm . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.831 " O5'" ' H8 ' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.872 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.545 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.903 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.475 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.393 1 C4'-C3'-C2' 110.946 7.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 5.037 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.474 1 C4'-C3'-C2' 110.997 7.797 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.483 4.864 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.446 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.62 1 C4'-C3'-C2' 111.001 7.801 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.507 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.605 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.504 6.445 1 C4'-C3'-C2' 110.576 7.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.817 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.674 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.471 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.47 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.471 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.928 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.471 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 4.981 1 C4'-C3'-C2' 110.882 7.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.734 1 C4'-C3'-C2' 110.903 7.703 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.043 1 C4'-C3'-C2' 110.853 7.653 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.475 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.738 1 C4'-C3'-C2' 110.922 7.722 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.628 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.496 5.83 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.474 4.119 1 C4'-C3'-C2' 110.548 7.348 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 4' ' ' LYS . 97.3 m-20 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' ASP . 12.2 mttm 44.06 -169.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.256 -0.902 . . . . 0.0 109.478 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.3 tt0 70.12 -48.15 0.63 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' LYS . . . -119.63 -28.45 1.92 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' NH2' ' OD1' ' A' ' 9' ' ' ASP . 2.0 tmt_? -87.19 140.36 29.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.538 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -142.13 154.0 44.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.879 . . . . 0.0 109.434 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.586 ' OD1' ' NH2' ' A' ' 7' ' ' ARG . 95.6 m-20 -72.09 155.02 40.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -113.97 125.38 29.48 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.224 -0.923 . . . . 0.0 109.512 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.58 -22.86 20.49 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.924 2.416 . . . . 0.0 112.245 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 71' ' ' MET . . . -83.1 -25.15 32.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.0 109.463 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 mt -100.99 147.25 33.45 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 109.521 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 17' ' ' TRP . 9.8 Cg_endo -53.94 165.33 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.896 2.397 . . . . 0.0 112.137 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.59 124.24 15.36 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.832 2.355 . . . . 0.0 112.215 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.17 -32.37 4.76 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CD1' ' HG2' ' A' ' 14' ' ' PRO . 45.1 m95 -61.37 138.32 58.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -1.161 . . . . 0.0 109.416 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -120.38 144.63 47.79 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.267 -0.896 . . . . 0.0 109.459 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -132.93 139.26 47.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 11.3 tm-20 -129.77 155.28 46.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.453 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 83.0 tt0 -125.78 117.13 22.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 0.0 109.489 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' OE1' ' A' ' 20' ' ' GLU . 89.4 t -106.95 129.98 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.157 -0.965 . . . . 0.0 109.478 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.0 mt -103.63 133.1 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -63.42 105.24 0.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -91.94 -7.12 49.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -0.883 . . . . 0.0 109.452 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -97.78 131.14 44.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.84 144.76 13.19 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.815 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -72.1 -43.88 64.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.111 . . . . 0.0 109.497 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 30' ' ' ALA . 50.2 m -61.43 25.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.471 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.696 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.85 164.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 0.0 109.458 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.85 -21.04 5.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 124.6 29.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -1.159 . . . . 0.0 109.462 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -128.64 151.58 49.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 0.0 109.54 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -126.47 144.68 50.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.908 . . . . 0.0 109.44 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -106.49 130.85 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.228 -0.92 . . . . 0.0 109.519 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -112.41 141.13 46.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 84.4 m-85 -120.04 132.47 55.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.473 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -118.32 133.55 55.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.455 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -105.75 166.53 11.16 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 0.0 109.506 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 12.8 Cg_endo -55.2 -12.1 4.96 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.829 2.352 . . . . 0.0 112.273 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.0 p -83.72 -5.39 59.18 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.466 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.92 0.01 67.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -77.12 143.16 39.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -1.111 . . . . 0.0 109.508 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -88.67 139.0 30.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.302 -0.874 . . . . 0.0 109.427 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 51' ' ' LEU . 56.0 m-85 -125.8 150.56 47.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.4 ttp180 -158.36 73.0 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 158.79 120.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.778 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -50.4 -49.81 75.01 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.517 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 17.5 Cg_endo -57.86 -26.11 72.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.877 2.385 . . . . 0.0 112.256 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -74.6 -50.87 16.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.575 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 45' ' ' PHE . 80.8 mt -65.65 -42.58 91.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.04 -44.78 67.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.283 -0.886 . . . . 0.0 109.594 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 53' ' ' ARG . 59.6 ttt-85 -67.61 -35.25 78.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.639 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.33 -53.45 43.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 55' ' ' LEU . 10.2 mp -67.39 -22.06 65.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 109.55 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -171.7 27.34 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' VAL . 47.8 p-10 -64.35 -23.19 67.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -1.128 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . . . -41.29 -25.34 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' ASN . 19.8 t -143.27 144.37 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 109.469 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.523 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 46.5 p-10 -101.51 117.85 35.75 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 0.0 109.473 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 61' ' ' LEU . 10.8 mp -101.63 12.21 37.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.6 m -60.07 -43.95 95.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.864 . . . . 0.0 109.479 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.6 m -75.37 -30.71 60.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 109.486 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 33.8 t80 -60.81 130.08 44.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.479 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 53.8 t0 -90.59 167.62 12.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.276 -0.89 . . . . 0.0 109.48 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 62.9 t80 -110.97 -56.6 2.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -55.58 -42.34 74.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 109.449 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -97.16 -38.36 9.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.474 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 64' ' ' PHE . . . 78.45 35.7 32.3 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -113.77 172.0 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.201 -1.176 . . . . 0.0 109.452 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 8.2 ttm -119.44 133.89 55.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.444 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.5 ttp . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.484 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ' DG' . . . . . 0.872 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.872 1 C4'-C3'-C2' 110.988 7.788 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.518 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.639 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.517 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.471 3.925 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.477 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.44 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.483 4.855 2 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' 5CM . . . . . 0.44 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.515 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.548 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.445 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.479 4.534 1 C4'-C3'-C2' 110.873 7.673 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DC' . . . . . 0.445 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.133 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' TED . . . . . 0.643 ' CY5' ' CY8' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.118 1 C4'-C3'-C2' 110.621 7.421 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' ' DG' . . . . . 0.782 HO5' ' H8 ' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.626 1 C4'-C3'-C2' 110.986 7.786 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 112' ' ' ' DA' . . . . . 0.539 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.918 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 113' ' ' ' DG' . . . . . 0.539 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.45 1 C4'-C3'-C2' 110.985 7.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ' DC' . . . . . 0.519 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.871 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DG' . . . . . 0.515 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.476 4.298 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.476 4.329 1 C4'-C3'-C2' 111.001 7.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.491 5.477 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 119' ' ' TED . . . . . 0.588 ' CY5' ' CY8' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DC' . . . . . 0.414 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.498 6.027 1 C4'-C3'-C2' 110.938 7.738 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.83 1 C4'-C3'-C2' 110.671 7.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -87.6 150.6 23.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -1.203 . . . . 0.0 109.506 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.8 p -142.03 152.65 43.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 0.0 109.445 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -78.22 159.32 28.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 109.451 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.56 123.04 63.09 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.537 179.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.38 -31.49 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.264 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.97 -41.22 5.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.263 -0.898 . . . . 0.0 109.499 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 6.3 mp -71.83 154.58 92.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.534 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 Cg_exo -38.32 135.63 0.66 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.819 2.346 . . . . 0.0 112.186 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.6 Cg_exo -49.59 131.84 29.19 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 0.0 112.258 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.76 -33.22 5.46 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.656 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 12.9 m95 -55.54 133.43 50.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -1.191 . . . . 0.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -121.65 146.69 46.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -138.08 144.89 41.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.47 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -127.35 156.11 42.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.221 -0.924 . . . . 0.0 109.453 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -127.79 113.02 15.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 109.552 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.51 131.52 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.91 . . . . 0.0 109.414 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.2 mt -102.1 128.95 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 0.0 109.472 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -55.71 106.86 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.358 -0.838 . . . . 0.0 109.452 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -92.73 -11.02 35.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.0 109.487 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -99.0 130.43 45.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.335 -0.853 . . . . 0.0 109.432 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 143.24 11.33 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.666 ' C ' ' H ' ' A' ' 30' ' ' ALA . 9.0 tp -67.66 -31.36 71.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -1.185 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' ALA . 32.6 p -62.85 25.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.875 . . . . 0.0 109.492 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.666 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -45.02 147.17 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 0.0 109.46 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.06 -22.88 5.33 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -78.75 128.57 33.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -1.15 . . . . 0.0 109.459 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -132.54 154.2 50.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -128.34 148.12 50.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.2 131.77 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -115.21 148.53 38.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 0.0 109.442 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -126.48 139.55 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.435 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.503 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 84.7 m-85 -115.65 133.23 56.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.53 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.656 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -86.22 164.23 39.32 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.0 109.454 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.24 -26.42 81.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.892 2.394 . . . . 0.0 112.204 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -28.19 62.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.468 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.57 0.79 23.23 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -72.62 140.57 48.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -1.169 . . . . 0.0 109.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -96.74 140.13 31.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -0.955 . . . . 0.0 109.427 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.69 165.6 21.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.514 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.71 ' O ' ' CB ' ' A' ' 47' ' ' SER . 23.5 mtm180 -142.44 120.47 12.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.0 109.423 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.71 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.9 t 92.77 154.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.885 . . . . 0.0 109.393 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 36.5 tttt -63.11 -43.64 81.96 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 0.0 109.536 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.8 Cg_exo -50.44 -32.06 32.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.889 2.393 . . . . 0.0 112.369 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.55 -46.92 18.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 52.6 tp -65.8 -43.03 89.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 0.0 109.483 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.76 82.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.543 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.696 ' HG2' HH11 ' A' ' 53' ' ' ARG . 17.5 mtt-85 -60.98 -35.81 77.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.608 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.13 -46.23 81.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.49 -28.01 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.27 -133.49 28.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -106.89 35.72 2.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -1.162 . . . . 0.0 109.477 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.63 -21.38 17.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.432 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.8 t -148.4 152.59 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.459 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -105.67 120.51 41.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 0.0 109.413 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 11.0 mp -98.97 17.76 18.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.435 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.84 -43.64 90.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.9 m -89.15 8.27 30.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -102.9 115.62 30.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -0.875 . . . . 0.0 109.449 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' GLY . 64.5 t0 -93.72 103.39 15.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.484 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' C ' ' A' ' 67' ' ' ARG . 26.2 p90 -64.38 -43.56 94.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.249 -0.907 . . . . 0.0 109.468 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.594 HH11 ' HG3' ' A' ' 67' ' ' ARG . 30.4 mmm-85 -36.64 -48.28 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -106.35 -24.87 12.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.0 109.408 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 83.19 40.9 8.85 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -122.79 165.49 16.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.511 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.6 ttm . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 109.457 -179.701 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -88.72 150.22 23.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -1.132 . . . . 0.0 109.504 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -141.22 153.49 45.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.595 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 51.7 t0 -84.91 165.14 17.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.255 -0.903 . . . . 0.0 109.525 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.595 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -118.27 122.14 30.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 178.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.96 -15.64 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.353 . . . . 0.0 112.248 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.552 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -98.52 -41.95 7.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.6 mp -77.41 150.31 79.65 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.428 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -41.15 136.64 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.82 2.346 . . . . 0.0 112.151 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -48.39 125.37 12.1 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.819 2.346 . . . . 0.0 112.187 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.17 -32.03 4.69 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 35.2 m95 -58.51 133.03 55.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -1.122 . . . . 0.0 109.476 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -119.86 144.94 47.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 69' ' ' GLY . 32.2 mtpt -133.18 139.41 47.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.534 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -124.38 153.35 42.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.415 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -127.27 115.94 19.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.91 . . . . 0.0 109.527 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.81 131.98 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 109.46 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.3 mt -102.89 133.24 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.0 109.466 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.56 107.39 0.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.49 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -10.03 36.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -98.42 130.78 45.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.73 144.91 13.39 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' ' H ' ' A' ' 30' ' ' ALA . 45.4 tp -68.41 -32.91 73.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 0.0 109.405 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' ALA . 81.0 p -61.75 25.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.508 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.0 148.5 0.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.09 -22.72 5.34 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.74 130.22 35.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 109.471 178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 p -134.57 155.13 50.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.568 ' OD2' ' CZ ' ' A' ' 36' ' ' TYR . 3.0 p-10 -131.94 152.57 51.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.264 -0.897 . . . . 0.0 109.469 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.91 135.27 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 109.517 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CZ ' ' OD2' ' A' ' 34' ' ' ASP . 97.4 m-85 -110.86 147.48 34.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 19' ' ' LYS . 41.8 m-85 -118.21 129.51 55.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.0 109.469 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -115.12 131.56 56.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 p -103.06 171.13 5.47 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -19.77 58.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.827 2.351 . . . . 0.0 112.193 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.8 p -78.2 -3.6 43.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.912 . . . . 0.0 109.41 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.4 0.2 71.31 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.7 141.8 44.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -1.149 . . . . 0.0 109.48 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.23 138.66 31.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.44 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -124.93 152.65 43.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.459 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 ttp180 -143.38 116.94 9.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 0.0 109.436 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.8 p 95.94 149.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.734 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.75 -44.03 98.51 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.55 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 51.0 Cg_exo -52.63 -32.26 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.864 2.376 . . . . 0.0 112.255 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -77.34 -53.49 7.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.195 -0.94 . . . . 0.0 109.543 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tp -63.6 -46.71 84.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 109.497 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.14 70.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' HH11 ' A' ' 53' ' ' ARG . 56.2 ttt-85 -61.38 -36.5 80.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -65.78 -48.31 72.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 0.0 109.523 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.05 -27.46 69.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.0 109.559 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 -132.05 34.4 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -105.1 33.72 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -1.179 . . . . 0.0 109.477 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.23 -22.89 14.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.266 -0.896 . . . . 0.0 109.462 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.1 t -142.74 144.65 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 61' ' ' LEU . 58.2 t0 -98.68 115.86 29.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.734 HD12 ' NZ ' ' A' ' 48' ' ' LYS . 4.2 mm? -107.06 12.68 28.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 109.444 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 t -71.77 -41.89 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.0 109.43 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.46 -40.31 96.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.421 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD1' ' N ' ' A' ' 65' ' ' ASP . 5.6 t80 -100.95 153.82 19.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.68 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 85.4 m-20 -99.86 -109.94 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.429 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -176.82 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -49.05 -25.57 2.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.0 109.485 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 p -102.18 -24.85 13.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.894 . . . . 0.0 109.413 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.559 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 72.35 23.34 78.1 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 54.4 mtmt -120.46 179.41 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -1.152 . . . . 0.0 109.439 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.552 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 10.1 tpt . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 0.0 109.455 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 7' ' ' ARG . 81.9 mtt-85 -84.19 141.96 30.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -1.117 . . . . 0.0 109.523 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -141.55 150.52 42.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 109.428 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 17' ' ' TRP . 37.8 m-20 -120.18 124.85 46.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.509 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.18 153.26 61.38 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.43 -9.14 21.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.793 2.328 . . . . 0.0 112.267 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.96 74.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.18 -0.95 . . . . 0.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.32 149.02 42.89 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.368 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -43.37 157.08 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.8 2.333 . . . . 0.0 112.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.16 119.09 6.12 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.803 2.335 . . . . 0.0 112.242 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.08 -34.53 3.67 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.549 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 82.4 m95 -61.0 133.91 56.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.339 -1.095 . . . . 0.0 109.459 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.39 144.71 48.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.511 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -120.99 135.92 55.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.242 -0.911 . . . . 0.0 109.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.64 151.35 43.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.378 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -128.09 112.39 14.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.17 130.59 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.469 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 75.2 mt -104.69 141.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -42.43 151.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.492 -179.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -111.74 -27.81 8.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.144 -0.973 . . . . 0.0 109.415 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 p -139.39 162.52 34.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.08 141.45 10.8 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 30' ' ' ALA . 6.7 tp -61.15 -15.19 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -1.156 . . . . 0.0 109.478 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -73.34 18.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.84 126.17 11.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.251 -0.905 . . . . 0.0 109.474 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.98 -25.48 4.63 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -82.82 144.81 29.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -1.103 . . . . 0.0 109.495 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -144.54 162.7 35.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 0.0 109.54 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -129.18 149.5 50.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 67' ' ' ARG . 18.7 t -102.79 129.05 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -115.07 147.17 40.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.334 -0.854 . . . . 0.0 109.404 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -123.96 137.56 54.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.491 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -118.25 133.75 55.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.444 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 1.4 p -94.34 157.75 36.91 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -56.72 -11.83 7.7 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.82 2.347 . . . . 0.0 112.199 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -83.99 -4.87 59.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.454 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.28 -3.71 85.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -76.58 141.25 41.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -1.148 . . . . 0.0 109.511 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -92.35 144.05 25.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.917 . . . . 0.0 109.442 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -128.43 154.17 46.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.517 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 47' ' ' SER . 5.1 ptm180 -159.23 66.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 109.492 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.48 ' OG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 166.27 119.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 109.452 -178.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.711 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 26.3 tttt -45.77 -54.15 17.35 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.482 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.711 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 14.3 Cg_endo -57.29 -22.96 51.8 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.824 2.349 . . . . 0.0 112.273 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -75.83 -52.2 10.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.554 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.32 -44.56 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.94 . . . . 0.0 109.58 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.76 71.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.271 -0.893 . . . . 0.0 109.537 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.602 ' HG3' HH11 ' A' ' 53' ' ' ARG . 23.2 ttm-85 -61.91 -38.03 86.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 0.0 109.609 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.88 -48.9 72.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.58 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.89 -28.48 66.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 0.0 109.57 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.61 -131.9 26.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.44 36.35 2.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -1.176 . . . . 0.0 109.507 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.0 -22.46 17.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 109.374 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.59 151.16 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.304 -0.872 . . . . 0.0 109.419 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 42.5 p-10 -100.1 117.22 33.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.0 mp -99.93 15.08 28.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.485 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.6 p -57.15 -37.5 72.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 109.472 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.64 6.87 47.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 109.519 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -98.75 116.28 30.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 0.0 109.486 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 69' ' ' GLY . 89.4 m-20 -98.1 103.8 15.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 109.472 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 6.4 p90 -64.37 -41.0 96.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 0.0 109.474 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 11.5 ptp180 -56.58 -22.74 35.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.463 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 p -120.52 -10.79 9.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 0.0 109.538 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 57.08 35.59 70.24 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -126.61 159.24 34.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.505 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.446 179.874 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -76.21 169.95 17.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -1.137 . . . . 0.0 109.513 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -136.72 148.36 47.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.461 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.31 148.83 51.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 0.0 109.488 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -77.17 119.96 79.64 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.273 -0.892 . . . . 0.0 109.491 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.28 -50.9 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.889 2.393 . . . . 0.0 112.235 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 -28.51 8.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.0 109.521 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mt -69.94 148.18 96.18 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 62.1 Cg_exo -39.19 152.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 43.6 Cg_exo -54.32 147.98 43.7 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.829 2.353 . . . . 0.0 112.265 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.69 -26.81 7.78 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.622 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 15.9 m95 -63.69 135.75 56.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -1.191 . . . . 0.0 109.458 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.07 151.52 51.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -0.982 . . . . 0.0 109.506 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -138.36 144.92 40.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 0.0 109.557 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 12.9 tm-20 -127.65 169.53 13.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 82.6 tt0 -128.81 108.82 10.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 109.424 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.543 HG23 ' OE1' ' A' ' 20' ' ' GLU . 87.0 t -94.58 128.52 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.469 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 81.7 mt -107.21 139.11 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ILE . 23.2 mmt180 -42.14 114.46 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.447 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -81.47 -29.14 33.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.232 -0.918 . . . . 0.0 109.472 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -133.81 159.17 41.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.494 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.22 142.07 11.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 30' ' ' ALA . 7.8 tt -65.53 -16.05 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -1.175 . . . . 0.0 109.47 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -71.16 23.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.394 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.59 130.72 32.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 109.475 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.94 -29.55 3.91 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.41 139.08 37.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.157 . . . . 0.0 109.451 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -136.51 157.02 47.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.534 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.94 144.9 51.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.89 . . . . 0.0 109.486 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 67' ' ' ARG . 22.0 t -105.93 126.19 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 0.0 109.505 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.49 152.9 24.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.539 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 92.3 m-85 -130.26 144.53 51.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 0.0 109.458 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.04 136.07 54.01 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.446 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.622 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -93.08 164.62 20.89 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.854 . . . . 0.0 109.422 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.26 -17.93 62.44 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.899 2.4 . . . . 0.0 112.205 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.4 p -86.5 -6.57 58.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.269 -0.894 . . . . 0.0 109.495 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.68 73.6 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -75.3 134.94 40.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -1.156 . . . . 0.0 109.469 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -104.54 145.48 30.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.309 -0.869 . . . . 0.0 109.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.791 ' CD1' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -143.49 -177.35 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.0 109.559 178.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.9 ttp180 -169.67 86.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 154.26 138.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.791 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tttm -57.07 -49.46 93.86 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 0.0 109.517 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 21.5 Cg_endo -60.44 -29.3 88.42 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.807 2.338 . . . . 0.0 112.368 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -74.53 -44.8 49.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.571 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 45' ' ' PHE . 96.1 mt -65.75 -43.0 90.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 109.577 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.45 72.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.555 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -66.22 -37.43 85.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.38 -47.99 52.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.214 -0.929 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD21 ' CH2' ' A' ' 17' ' ' TRP . 4.3 mm? -64.64 -24.44 67.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.604 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.17 -179.71 5.47 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' VAL . 98.4 m-20 -64.26 -25.45 68.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -1.116 . . . . 0.0 109.491 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.36 -26.44 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.0 109.425 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' ASN . 61.9 t -143.17 144.52 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.508 ' C ' HD12 ' A' ' 61' ' ' LEU . 42.8 t0 -108.21 120.61 42.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.55 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.845 ' N ' HD12 ' A' ' 61' ' ' LEU . 5.4 mp -95.8 20.11 10.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.204 -0.935 . . . . 0.0 109.457 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -58.17 -42.67 86.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.6 m -77.94 8.4 4.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.438 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CZ ' ' HA2' ' A' ' 69' ' ' GLY . 36.1 t80 -96.3 122.23 38.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.459 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 66' ' ' PHE . 71.0 m-20 -70.34 -92.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.439 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.539 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 5.0 t80 163.65 -69.08 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.7 mtm180 -69.61 -40.48 76.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.186 -0.946 . . . . 0.0 109.452 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 69' ' ' GLY . 12.9 p -94.44 1.75 55.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 34.41 48.63 0.65 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -109.57 170.17 8.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -1.15 . . . . 0.0 109.518 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.205 -0.934 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.0 139.0 32.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 0.0 109.485 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -142.19 152.94 43.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.0 109.461 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 51.6 p-10 -75.22 156.31 35.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.448 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.03 120.15 35.84 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.204 -0.935 . . . . 0.0 109.421 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.36 -25.12 15.8 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.757 2.305 . . . . 0.0 112.241 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.92 -18.09 54.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 0.0 109.462 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 48.6 mt -111.69 143.22 28.15 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.0 109.483 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -41.03 160.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.785 2.323 . . . . 0.0 112.231 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 129.85 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.864 2.376 . . . . 0.0 112.24 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.53 -32.07 6.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.898 ' CH2' HD11 ' A' ' 51' ' ' LEU . 63.9 m95 -60.23 135.73 57.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.207 -1.172 . . . . 0.0 109.47 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.79 154.03 47.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.281 -0.887 . . . . 0.0 109.53 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -138.74 146.35 41.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -125.37 158.84 33.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -129.37 112.4 13.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.473 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.1 t -109.23 132.56 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 83.4 mt -102.3 128.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.192 -0.942 . . . . 0.0 109.474 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.695 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -44.16 111.15 0.26 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.868 . . . . 0.0 109.513 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -92.15 -23.19 19.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.49 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -102.6 131.66 49.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.269 -0.895 . . . . 0.0 109.511 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.93 138.78 8.75 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.9 tp -59.89 -28.17 67.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.282 -1.128 . . . . 0.0 109.514 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 p -61.72 24.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.81 138.42 29.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 0.0 109.44 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.58 -25.44 4.76 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -70.35 129.39 39.16 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -1.148 . . . . 0.0 109.421 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -117.89 144.55 45.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.527 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -126.21 142.32 51.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.181 -0.95 . . . . 0.0 109.394 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.89 128.71 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.933 . . . . 0.0 109.57 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -112.05 151.23 29.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 109.449 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.51 132.96 54.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -119.0 135.56 54.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.444 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -82.04 166.21 38.48 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.419 179.308 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.0 Cg_endo -58.66 -26.04 77.71 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.895 2.397 . . . . 0.0 112.146 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -74.88 -29.02 60.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.272 -0.892 . . . . 0.0 109.438 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.19 7.82 16.07 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.31 142.82 45.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -1.098 . . . . 0.0 109.484 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.61 135.51 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.877 . . . . 0.0 109.504 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -131.57 162.75 29.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 0.0 109.438 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -148.87 121.41 8.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.515 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.6 m 99.44 144.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.9 . . . . 0.0 109.479 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.814 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 1.6 ttpm? -56.85 -49.12 95.67 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.524 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.814 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.4 Cg_endo -51.93 -32.19 46.53 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.85 2.367 . . . . 0.0 112.261 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -73.07 -52.0 15.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.299 -0.876 . . . . 0.0 109.609 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -65.58 -43.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.897 . . . . 0.0 109.505 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' HA ' HD21 ' A' ' 55' ' ' LEU . . . -53.13 -42.2 65.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 0.0 109.563 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.714 HH11 ' CG ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.01 -36.31 82.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 0.0 109.601 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.66 -53.9 44.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.481 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLY . 2.8 pp -69.58 -21.35 63.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 55' ' ' LEU . . . 67.27 -128.83 28.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -106.15 34.67 3.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -1.142 . . . . 0.0 109.512 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.85 18.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.227 -0.92 . . . . 0.0 109.451 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.54 149.84 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.511 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' C ' HD12 ' A' ' 61' ' ' LEU . 48.3 t0 -98.43 117.26 32.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.929 . . . . 0.0 109.485 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 55' ' ' LEU . 10.8 mp -105.5 18.99 21.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.398 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 t -55.38 -43.6 75.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.46 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.546 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -86.55 25.52 1.22 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -95.84 122.06 38.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 109.524 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.777 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.5 t0 -97.84 115.3 27.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' ARG . 75.6 t80 -54.55 -47.4 73.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.923 . . . . 0.0 109.439 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.1 tpm_? -38.41 -45.3 1.01 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.6 p -139.99 -38.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.0 109.521 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.777 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 94.08 74.86 1.27 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 63' ' ' CYS . 10.3 ptpp? -114.32 165.58 12.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -1.126 . . . . 0.0 109.471 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.0 ttm . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.486 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -84.45 143.88 29.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -1.145 . . . . 0.0 109.514 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -142.16 152.15 42.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.972 . . . . 0.0 109.468 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -73.88 154.68 39.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 109.478 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 t -115.16 131.38 23.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.0 109.415 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -71.97 -22.77 22.68 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.783 2.322 . . . . 0.0 112.264 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.502 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -81.15 -28.64 34.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 3.0 mm? -102.39 152.23 38.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.0 165.96 15.4 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.346 . . . . 0.0 112.193 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.64 126.69 20.36 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.845 2.363 . . . . 0.0 112.209 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -35.84 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 64.0 m95 -67.53 140.27 56.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.462 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.49 154.79 45.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.428 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.772 ' HZ2' HG13 ' A' ' 35' ' ' VAL . 26.7 tttp -127.92 137.82 52.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -128.74 150.5 50.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.0 109.469 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -129.73 122.66 29.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.4 131.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.427 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.95 129.79 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 109.478 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.676 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -48.13 110.77 0.36 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.931 . . . . 0.0 109.434 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -90.78 -19.27 23.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.47 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 p -106.19 132.86 51.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.908 . . . . 0.0 109.455 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.97 140.76 8.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 57.4 tp -66.81 -33.3 75.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -1.177 . . . . 0.0 109.474 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -60.36 26.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 0.0 109.521 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.71 143.61 3.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.192 -0.942 . . . . 0.0 109.48 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.34 -24.27 5.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -77.16 133.21 39.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.217 -1.166 . . . . 0.0 109.468 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -132.25 153.95 50.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 51.4 t0 -127.47 146.58 50.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.91 . . . . 0.0 109.409 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.772 HG13 ' HZ2' ' A' ' 19' ' ' LYS . 40.2 t -107.0 130.47 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 109.529 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -116.03 146.54 42.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.516 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -119.13 131.15 55.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 0.0 109.458 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -114.57 132.34 56.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.279 -0.888 . . . . 0.0 109.505 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.451 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -100.28 159.94 28.39 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.436 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.95 -15.45 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.784 2.323 . . . . 0.0 112.257 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.99 -2.89 46.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.515 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 0.84 88.11 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.03 142.25 36.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.411 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.46 144.45 25.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 41.6 m-85 -124.46 144.71 49.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.278 -0.889 . . . . 0.0 109.464 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' SER . 7.9 ptm180 -147.46 63.1 1.15 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.17 -0.956 . . . . 0.0 109.483 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.5 OUTLIER 164.63 115.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 -178.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.771 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 3.1 tmmm? -44.43 -50.61 22.4 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 109.465 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.771 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 19.0 Cg_endo -57.44 -24.43 60.97 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.35 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -73.98 -53.48 9.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.619 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.83 -46.49 87.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.87 . . . . 0.0 109.546 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.48 -41.75 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.911 . . . . 0.0 109.58 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' A' ' 53' ' ' ARG . 49.2 ttm-85 -64.34 -39.51 94.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.662 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.22 -49.84 74.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.532 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 55' ' ' LEU . 98.2 mt -64.33 -24.15 67.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.507 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.94 36.25 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -104.74 32.68 3.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -1.151 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.88 -22.66 16.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 t -145.45 149.97 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 109.453 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 44.7 p-10 -103.3 119.46 38.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.506 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.7 mp -107.05 14.93 25.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -62.76 -43.54 98.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.2 m -76.56 -27.24 55.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 48.4 t80 -66.77 129.39 39.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.463 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.526 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 91.8 m-20 -82.98 -170.41 3.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.0 109.438 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -130.94 -53.53 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.672 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.6 mmt-85 -61.11 -42.72 99.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.43 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 23.5 p -104.68 -2.3 25.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.897 . . . . 0.0 109.471 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.34 35.08 14.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' H ' ' HB2' ' A' ' 65' ' ' ASP . 95.7 mttt -113.44 161.87 16.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -1.193 . . . . 0.0 109.459 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.417 -179.736 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.16 163.38 27.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -1.166 . . . . 0.0 109.489 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -140.23 148.59 41.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.468 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 55.8 p-10 -75.55 153.78 37.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -119.28 117.16 33.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.68 -24.72 15.51 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.847 2.364 . . . . 0.0 112.251 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.51 -17.45 48.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.299 -0.876 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 12' ' ' ALA . 9.2 mp -111.1 149.03 39.9 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.283 -0.885 . . . . 0.0 109.463 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -42.7 144.02 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.837 2.358 . . . . 0.0 112.168 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.14 124.02 10.96 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.778 2.318 . . . . 0.0 112.196 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.94 -31.07 5.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.556 ' CZ3' HD21 ' A' ' 51' ' ' LEU . 42.5 m95 -60.57 136.87 58.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -1.186 . . . . 0.0 109.483 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -127.78 150.52 49.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.464 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.83 141.71 49.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 52.0 tp10 -121.31 156.14 33.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 80.8 tt0 -127.47 111.32 13.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.524 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.42 129.38 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 84.3 mt -106.3 145.04 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.464 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' ILE . 24.1 mmt180 -42.36 114.62 0.59 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.261 -0.9 . . . . 0.0 109.491 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.97 -30.58 31.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.2 t -128.64 153.57 47.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.48 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 137.93 8.2 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.922 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.01 -34.89 78.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.195 -1.18 . . . . 0.0 109.475 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -61.01 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.551 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.692 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -51.32 147.05 6.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.202 -0.936 . . . . 0.0 109.48 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.23 -26.84 4.63 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -79.94 139.61 37.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.43 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -138.89 158.77 43.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.534 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 67.5 t0 -127.91 145.18 51.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 61.2 t -103.45 126.34 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 -178.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -111.46 148.04 33.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.456 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.481 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 94.7 m-85 -122.54 134.7 54.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.908 . . . . 0.0 109.476 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.58 131.51 56.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.537 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.519 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -101.74 171.01 5.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 109.469 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.63 -24.12 43.75 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.193 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -80.12 2.37 24.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.257 -0.902 . . . . 0.0 109.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.0 6.05 63.21 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 44' ' ' LYS . 27.1 tptp -76.43 141.17 41.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.178 . . . . 0.0 109.452 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 9.5 ttmm -93.98 142.99 26.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.54 160.51 35.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.8 ttp180 -148.91 123.32 9.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.736 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 13.2 p 94.35 151.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.457 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.837 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 18.2 tttm -63.8 -48.41 79.37 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.837 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.1 Cg_endo -53.03 -33.99 65.58 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.827 2.351 . . . . 0.0 112.323 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -73.63 -49.65 25.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 109.564 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.491 178.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.76 78.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.536 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HH11 ' A' ' 53' ' ' ARG . 54.6 ttt-85 -63.73 -39.15 93.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -64.13 -47.49 79.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.534 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.5 mt -71.69 -29.19 64.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.634 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.21 -172.13 38.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 59' ' ' VAL . 43.5 t30 -62.47 -25.99 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -1.139 . . . . 0.0 109.503 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.7 -25.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.915 . . . . 0.0 109.447 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 57' ' ' ASN . 4.1 t -140.27 139.88 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -102.48 118.38 36.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.508 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mp -102.7 21.61 15.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 p -60.62 -41.94 95.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.339 -0.851 . . . . 0.0 109.492 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.7 m -92.57 -9.36 41.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -68.83 119.01 12.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.5 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -90.92 92.15 8.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.445 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 27.7 p90 -59.79 -44.29 94.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HE ' ' CA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -42.15 -40.39 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 p -99.46 -24.14 14.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.82 -8.59 79.59 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -150.39 138.69 20.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.517 179.078 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -82.94 136.22 34.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -1.128 . . . . 0.0 109.498 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.8 p -141.42 149.43 41.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.256 -0.902 . . . . 0.0 109.436 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -75.7 151.03 37.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.446 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.5 m -112.04 122.04 37.9 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -74.94 -29.57 8.2 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.834 2.356 . . . . 0.0 112.244 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -13.2 59.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 109.456 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 15.9 mt -116.5 145.58 35.56 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.494 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.8 Cg_exo -40.18 153.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.819 2.346 . . . . 0.0 112.243 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.0 Cg_exo -50.44 126.93 18.97 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.757 2.305 . . . . 0.0 112.247 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.07 -31.5 5.83 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 22.4 m95 -58.43 133.48 55.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -1.125 . . . . 0.0 109.403 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -131.21 156.02 46.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.4 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -140.43 149.2 42.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -120.54 153.51 36.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.42 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -127.55 111.41 13.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.15 129.75 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 109.407 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.42 125.65 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.484 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -48.51 106.37 0.1 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 0.0 109.499 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.97 -19.18 21.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.436 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -101.17 132.02 46.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.493 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.36 144.15 12.39 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 30' ' ' ALA . 58.8 tp -63.77 -22.36 66.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -1.159 . . . . 0.0 109.417 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -64.11 24.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.872 . . . . 0.0 109.429 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.656 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.62 132.43 13.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.485 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.57 -25.6 4.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -79.53 135.6 36.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -1.139 . . . . 0.0 109.424 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.5 p -138.43 157.99 45.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -128.33 147.81 50.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.5 t -109.81 129.39 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 109.541 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.44 148.84 32.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.501 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 72.8 m-85 -124.14 137.94 54.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.42 139.51 53.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.139 -0.976 . . . . 0.0 109.478 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -111.55 171.46 4.32 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.0 109.44 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.58 -23.23 10.51 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.834 2.356 . . . . 0.0 112.199 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.7 m -78.06 -5.55 51.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.454 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.86 3.49 64.03 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 45' ' ' PHE . 27.1 tptp -73.65 140.22 45.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.194 -1.18 . . . . 0.0 109.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.83 137.87 34.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.273 -0.892 . . . . 0.0 109.447 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 43' ' ' LYS . 54.2 m-85 -129.8 164.16 24.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.752 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.0 mtm180 -144.08 119.3 10.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 109.405 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.752 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 4.5 t 96.51 155.67 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 109.492 177.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.863 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 32.2 ttpt -62.92 -46.87 87.6 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.863 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 11.3 Cg_endo -54.32 -31.93 69.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.317 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -74.01 -54.22 8.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 51' ' ' LEU . 6.1 tt -66.37 -41.13 89.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.518 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.14 64.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 109.573 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HH11 ' A' ' 53' ' ' ARG . 80.0 mtt-85 -63.98 -34.19 77.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.641 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.0 -50.54 70.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.538 ' CD1' HD21 ' A' ' 51' ' ' LEU . 98.0 mt -66.74 -24.44 66.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.575 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.73 -131.06 31.35 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.78 32.99 3.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -1.14 . . . . 0.0 109.481 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.12 -21.6 17.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.493 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.88 147.93 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.0 109.471 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -103.97 120.83 41.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 32.2 mt -114.11 20.59 15.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.9 m -84.25 -40.47 18.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.44 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.48 -44.65 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.384 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CG ' ' N ' ' A' ' 65' ' ' ASP . 94.1 t80 -106.65 164.42 12.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.444 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 64' ' ' PHE . 76.7 m-20 -78.58 -117.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 8.2 p90 -178.45 -17.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.179 -0.951 . . . . 0.0 109.485 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.69 HH11 ' CB ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -45.44 -40.81 8.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.539 -179.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.95 -37.55 5.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.869 . . . . 0.0 109.47 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.83 2.38 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -105.44 164.94 11.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -1.123 . . . . 0.0 109.423 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.452 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.0 169.36 17.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.491 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -139.08 150.46 45.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.435 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.61 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 56.3 t0 -80.34 158.93 25.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 0.0 109.51 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.61 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -100.11 120.52 56.54 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 109.413 178.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.9 -25.91 13.81 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.797 2.332 . . . . 0.0 112.228 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.546 ' HB1' ' SD ' ' A' ' 71' ' ' MET . . . -100.75 -42.82 6.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.915 . . . . 0.0 109.478 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.8 153.96 91.2 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.499 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -39.47 136.99 1.0 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.793 2.328 . . . . 0.0 112.155 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.8 126.16 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.832 2.355 . . . . 0.0 112.185 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.43 -32.08 5.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.463 ' CH2' HD11 ' A' ' 51' ' ' LEU . 37.5 m95 -57.28 132.59 53.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -1.144 . . . . 0.0 109.494 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -119.83 145.31 46.75 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.449 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -126.79 138.4 53.35 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.544 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -122.6 145.25 48.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.41 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -127.24 113.02 15.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.497 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.7 131.85 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.941 . . . . 0.0 109.409 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.9 mt -99.74 128.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 109.483 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -51.11 108.08 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.0 109.494 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 24.8 pttm -92.85 -13.53 28.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.885 . . . . 0.0 109.444 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -100.65 130.93 46.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 0.0 109.512 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.82 142.41 11.04 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.665 ' C ' ' H ' ' A' ' 30' ' ' ALA . 8.5 tp -66.39 -28.37 68.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -1.171 . . . . 0.0 109.486 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.6 t -62.71 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.665 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.16 143.98 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.483 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.31 -22.88 5.25 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.88 134.87 35.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -1.151 . . . . 0.0 109.469 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.6 p -136.5 157.14 47.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.569 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -125.16 144.7 50.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.0 109.392 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -112.98 131.02 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.314 -0.866 . . . . 0.0 109.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -115.31 148.22 39.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -120.77 134.11 55.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.59 131.47 56.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -0.845 . . . . 0.0 109.473 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -103.41 170.84 5.73 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.284 -0.885 . . . . 0.0 109.459 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.12 -28.13 68.65 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.821 2.347 . . . . 0.0 112.257 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -72.46 -2.29 18.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.6 1.51 66.25 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.06 141.92 41.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -1.138 . . . . 0.0 109.452 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.97 142.15 27.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 0.0 109.455 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -126.46 151.64 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.776 ' O ' ' CB ' ' A' ' 47' ' ' SER . 29.3 mtm180 -135.67 108.48 7.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.776 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 22.3 p 98.53 152.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.457 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.768 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.9 tttm -56.19 -52.16 75.1 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.902 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.768 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 6.0 Cg_endo -49.2 -31.01 20.68 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.38 . . . . 0.0 112.332 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.748 ' NE2' HH21 ' A' ' 53' ' ' ARG . 1.3 tp-100 -72.27 -55.91 6.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 51' ' ' LEU . 5.5 tt -68.41 -41.74 80.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.0 109.483 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -48.24 -49.19 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 0.0 109.568 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.748 HH21 ' NE2' ' A' ' 50' ' ' GLN . 86.2 mtm180 -59.51 -31.37 69.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.574 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.44 -51.12 68.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.525 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.29 -57.33 2.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 93.19 -108.55 3.68 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -91.49 -16.94 26.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -1.155 . . . . 0.0 109.533 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.13 33.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.42 137.13 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 109.436 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -97.19 115.09 26.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.883 . . . . 0.0 109.425 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.69 10.1 36.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.421 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -57.6 -42.76 83.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.281 -0.887 . . . . 0.0 109.521 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.7 13.82 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.95 . . . . 0.0 109.422 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 85.9 t80 -104.2 126.24 51.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 109.456 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.632 ' OD1' ' N ' ' A' ' 70' ' ' LYS . 5.3 p30 -91.71 -164.96 1.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 24.6 m-85 -127.59 -45.32 1.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.264 -0.898 . . . . 0.0 109.44 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.521 ' NH1' ' HG3' ' A' ' 67' ' ' ARG . 4.5 mtm-85 -65.77 -41.43 92.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.505 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 70' ' ' LYS . 77.0 p -107.97 0.74 22.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.52 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 39.24 22.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.632 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 17.9 ttpt -81.92 164.19 21.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -1.132 . . . . 0.0 109.422 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.546 ' SD ' ' HB1' ' A' ' 12' ' ' ALA . 11.5 ttm . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.222 -0.923 . . . . 0.0 109.508 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.494 ' O ' ' OE2' ' A' ' 20' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -81.34 149.76 28.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 0.0 109.51 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -141.92 150.69 41.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -77.73 156.31 30.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.438 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 117.48 43.73 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.57 -25.6 24.66 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.355 . . . . 0.0 112.268 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.68 -10.04 59.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -0.923 . . . . 0.0 109.453 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.63 146.99 41.13 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 Cg_exo -40.34 149.8 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.865 2.377 . . . . 0.0 112.149 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.5 Cg_exo -49.37 122.5 8.72 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.823 2.349 . . . . 0.0 112.28 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.77 -30.91 5.16 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -59.8 133.63 56.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -1.132 . . . . 0.0 109.424 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -126.43 151.23 48.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.92 . . . . 0.0 109.44 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -142.99 147.97 36.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 109.499 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.607 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 5.2 tp10 -141.59 140.82 33.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.403 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 42.8 tt0 -107.9 127.11 53.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -0.911 . . . . 0.0 109.486 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.91 131.43 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.862 . . . . 0.0 109.404 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.3 mt -101.53 124.27 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.486 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 105.46 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.487 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -93.39 -15.83 25.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 109.46 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -97.7 131.09 44.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.497 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.35 146.0 17.86 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' A' ' 30' ' ' ALA . 11.4 tp -62.85 -15.7 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.412 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 23.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.424 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.585 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.38 130.45 13.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.248 -0.908 . . . . 0.0 109.529 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 -25.86 4.98 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 131.35 38.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.28 -1.13 . . . . 0.0 109.398 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 p -140.38 159.42 42.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 0.0 109.536 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 66.1 t0 -130.71 151.75 50.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.421 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.597 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 28.4 t -100.77 128.07 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 109.497 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -113.61 144.65 42.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.56 135.24 53.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.297 -0.877 . . . . 0.0 109.499 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.76 130.55 56.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.508 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.459 ' HG ' ' HE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -83.59 166.39 34.67 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.309 -0.87 . . . . 0.0 109.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.56 -34.12 61.29 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.805 2.336 . . . . 0.0 112.233 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -70.33 -29.64 66.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.39 9.97 14.11 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HZ2' ' HE1' ' A' ' 45' ' ' PHE . 48.6 tttm -74.3 143.66 44.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 0.0 109.513 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -97.52 141.21 30.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 109.476 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.645 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 27.8 m-85 -130.66 166.92 19.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 109.495 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.707 ' O ' ' CB ' ' A' ' 47' ' ' SER . 20.9 mtm180 -143.57 117.92 9.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.707 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 t 91.7 161.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.224 -0.923 . . . . 0.0 109.456 176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 18.8 tptm -69.13 -43.84 26.1 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.0 109.555 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 52.2 Cg_exo -49.77 -38.54 47.09 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.805 2.337 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.645 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 tm0? -73.85 -49.35 25.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 109.589 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.72 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.557 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . . . -55.65 -42.03 74.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -64.37 -39.08 93.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.598 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.0 -49.01 74.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.474 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.21 -25.64 64.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 58' ' ' ALA . . . 66.68 -177.45 17.86 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.73 37.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -1.153 . . . . 0.0 109.501 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 56' ' ' GLY . . . -87.71 -22.1 24.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 109.497 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -146.17 151.27 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 36.1 p-10 -88.44 109.77 20.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.517 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.5 mt -97.63 12.25 34.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -51.59 -36.8 47.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.481 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 70' ' ' LYS . 80.2 m -83.46 11.61 6.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 109.449 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.435 ' CD2' ' HA2' ' A' ' 69' ' ' GLY . 29.0 t80 -95.32 113.29 24.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.176 -0.953 . . . . 0.0 109.478 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.628 ' C ' ' HG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.37 71.45 0.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 0.0 109.433 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' A' ' 67' ' ' ARG . 91.4 m-85 55.51 -152.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.452 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.587 HH21 ' CB ' ' A' ' 21' ' ' GLU . 43.4 ttm-85 -34.51 -35.23 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.17 -0.956 . . . . 0.0 109.445 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.628 ' HG1' ' C ' ' A' ' 65' ' ' ASP . 21.7 p -60.09 -43.08 95.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 109.467 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 32.38 84.13 0.01 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 63' ' ' CYS . 70.1 mmtt -121.81 158.62 28.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -1.112 . . . . 0.0 109.432 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.8 mtp . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.07 140.45 29.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -1.166 . . . . 0.0 109.534 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -141.96 151.69 42.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.64 153.41 40.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.0 109.484 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -106.27 117.43 57.32 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.45 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.42 -29.12 9.64 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.777 2.318 . . . . 0.0 112.238 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.625 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -84.07 -6.04 59.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.93 . . . . 0.0 109.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 51' ' ' LEU . 10.0 mp -121.18 149.3 51.32 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -40.3 146.08 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.827 2.351 . . . . 0.0 112.167 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.09 124.62 11.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.375 . . . . 0.0 112.25 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -32.36 4.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 51' ' ' LEU . 30.8 m95 -60.17 135.67 57.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.268 -1.137 . . . . 0.0 109.45 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.57 154.17 46.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.858 . . . . 0.0 109.401 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -144.96 150.6 37.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.222 -0.923 . . . . 0.0 109.487 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -126.62 155.46 42.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.414 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -126.29 114.39 18.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -112.54 131.08 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.398 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.0 mt -102.9 135.92 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.898 . . . . 0.0 109.496 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.638 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -47.93 105.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.49 -179.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.72 -16.96 34.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 m -108.56 134.08 51.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 138.99 8.45 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.684 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.9 tp -70.08 -34.07 72.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.237 -1.155 . . . . 0.0 109.407 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ALA . 50.8 m -61.97 25.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.476 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.684 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.39 153.08 0.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.21 -21.68 5.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.04 133.28 33.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -1.117 . . . . 0.0 109.512 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.6 p -138.73 158.95 43.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 55.6 t0 -127.79 146.88 50.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 0.0 109.463 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 60.9 t -113.55 133.32 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 0.0 109.475 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -115.59 147.29 40.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.195 -0.941 . . . . 0.0 109.474 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -124.4 138.42 54.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.31 130.04 56.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -86.22 164.62 37.71 Favored Pre-proline 0 N--CA 1.489 1.484 0 O-C-N 121.3 -0.875 . . . . 0.0 109.451 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.65 -26.74 80.57 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.842 2.361 . . . . 0.0 112.206 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.7 p -72.91 -26.92 61.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.907 . . . . 0.0 109.491 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 1.19 26.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -72.38 141.35 48.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.217 -1.167 . . . . 0.0 109.523 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -98.67 141.09 31.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 36.6 m-85 -132.29 167.46 19.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.171 -0.956 . . . . 0.0 109.483 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.711 ' O ' ' CB ' ' A' ' 47' ' ' SER . 53.4 mtm180 -145.34 120.95 10.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.451 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 92.44 154.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.484 177.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.32 -41.37 41.72 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.935 . . . . 0.0 109.489 -177.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.5 Cg_exo -52.08 -33.6 54.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.765 2.31 . . . . 0.0 112.324 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.624 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.2 tm0? -77.53 -47.17 20.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 13' ' ' LEU . 28.7 tp -64.67 -43.72 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.531 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.64 74.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -37.2 86.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.278 -0.889 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -63.92 -48.05 78.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.548 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 61' ' ' LEU . 95.4 mt -67.7 -26.44 66.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 -132.2 26.95 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -106.64 35.0 3.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.244 -1.15 . . . . 0.0 109.424 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.8 -21.94 15.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.17 147.61 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.918 . . . . 0.0 109.41 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -105.65 120.35 41.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.452 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 55' ' ' LEU . 96.0 mt -102.35 16.59 25.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 t -61.55 -44.04 97.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.465 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.08 -31.42 62.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.891 . . . . 0.0 109.483 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -72.81 120.17 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.234 -0.916 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.2 t0 -98.33 109.75 22.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 109.551 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 29.6 p90 -64.81 -44.42 89.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.469 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 6.8 tpm_? -46.95 -42.24 17.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -109.33 -5.44 15.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 0.0 109.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 58.28 31.2 65.56 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -115.66 158.44 22.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 ttt . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.284 -0.885 . . . . 0.0 109.498 179.61 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.653 ' NH2' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -75.16 169.2 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -1.15 . . . . 0.0 109.504 -178.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' HH21 ' A' ' 7' ' ' ARG . 81.7 p -137.88 149.88 46.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.653 ' N ' ' NH2' ' A' ' 7' ' ' ARG . 22.2 t70 -71.44 146.03 48.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 0.0 109.437 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 t -121.84 116.97 30.02 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -70.26 -18.17 34.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.831 2.354 . . . . 0.0 112.262 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.567 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -77.18 -18.88 57.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 0.0 109.564 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' A' ' 17' ' ' TRP . 5.3 mp -117.59 148.78 43.68 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.43 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -41.74 153.91 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.786 2.324 . . . . 0.0 112.224 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -54.23 129.59 35.33 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.8 2.333 . . . . 0.0 112.215 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.02 -31.54 6.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CD2' HD23 ' A' ' 13' ' ' LEU . 40.0 m95 -56.56 135.97 54.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -1.156 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG2' HH11 ' A' ' 7' ' ' ARG . 52.9 mtmt -115.33 144.05 44.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE3' HG11 ' A' ' 35' ' ' VAL . 68.5 tttt -126.92 136.32 52.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.496 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -131.76 143.89 50.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.389 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 8.4 tm-20 -126.84 124.21 39.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.528 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -120.05 133.69 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.404 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.4 mt -100.47 136.56 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.604 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 15.2 mtt-85 -48.83 113.04 0.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 109.46 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -74.83 -2.42 26.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.503 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.727 ' O ' ' C ' ' A' ' 27' ' ' GLY . 4.2 p -81.22 -162.45 0.5 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.191 -0.943 . . . . 0.0 109.481 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.727 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -20.36 138.39 0.01 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.588 ' C ' ' H ' ' A' ' 30' ' ' ALA . 60.2 tp -64.14 -39.37 93.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -1.152 . . . . 0.0 109.448 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -59.66 6.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.484 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 24' ' ' ARG . . . -49.18 -75.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 0.0 109.45 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.4 -11.84 2.08 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 30' ' ' ALA . 10.6 mmmt -85.78 129.13 34.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.284 -1.127 . . . . 0.0 109.442 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 65.8 m -127.51 150.92 49.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.547 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -120.4 139.39 52.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.423 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 ' HE3' ' A' ' 19' ' ' LYS . 35.4 t -112.43 132.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 109.488 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -115.23 139.83 49.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.915 . . . . 0.0 109.495 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CD1' ' CE2' ' A' ' 66' ' ' PHE . 81.2 m-85 -120.91 135.32 55.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 109.498 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -116.68 133.3 56.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.216 -0.927 . . . . 0.0 109.482 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -105.7 166.05 12.01 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.278 -0.888 . . . . 0.0 109.424 179.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.2 Cg_endo -57.93 -18.22 34.18 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.852 2.368 . . . . 0.0 112.197 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.9 p -76.79 -16.29 59.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.428 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.74 -3.25 77.87 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.04 137.67 43.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -1.173 . . . . 0.0 109.543 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -93.97 138.38 32.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 109.454 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 45.6 m-85 -121.31 130.35 53.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.296 -0.877 . . . . 0.0 109.472 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -107.73 -3.09 19.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.391 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -152.17 152.36 32.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.286 -0.884 . . . . 0.0 109.459 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 17.9 ttpp -57.44 -50.79 86.14 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.536 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 4.6 Cg_endo -46.44 -31.09 9.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.917 2.411 . . . . 0.0 112.264 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -72.04 -52.6 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.518 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HH2' ' A' ' 17' ' ' TRP . 24.4 tp -65.78 -45.45 82.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.891 . . . . 0.0 109.573 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.5 -47.12 39.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.561 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.639 ' HG2' HH11 ' A' ' 53' ' ' ARG . 32.6 mtt-85 -63.62 -37.37 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.645 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -63.5 -51.99 63.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.11 -28.27 68.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 -146.31 40.33 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -93.05 40.51 1.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -1.136 . . . . 0.0 109.493 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.53 -19.69 13.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.477 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.27 143.69 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 109.404 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 38.3 p-10 -103.45 119.07 38.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.528 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.88 15.72 26.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.5 m -61.71 -43.59 98.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.49 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.9 m -71.21 -29.3 64.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 109.499 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 60.9 t80 -87.31 122.65 31.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.953 . . . . 0.0 109.477 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 69' ' ' GLY . 90.3 m-20 -104.94 131.26 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.468 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.642 ' CE2' ' CD1' ' A' ' 37' ' ' TYR . 3.5 m-85 -69.5 -40.28 77.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -53.81 -44.19 69.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.473 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.1 p -101.08 -18.31 16.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.438 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 59.9 37.55 92.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -133.09 161.36 34.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.3 -1.118 . . . . 0.0 109.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.6 ttm . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 179.749 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.656 HH11 ' HG2' ' A' ' 7' ' ' ARG . 1.2 ptt-85 -82.55 158.71 23.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -1.167 . . . . 0.0 109.537 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -141.67 151.88 43.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 109.429 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 38.7 t70 -75.69 158.0 32.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.232 -0.917 . . . . 0.0 109.487 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.2 116.9 58.64 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.185 -0.947 . . . . 0.0 109.456 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -74.23 -31.22 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.83 2.353 . . . . 0.0 112.255 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.691 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -80.54 -7.75 59.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 0.0 109.546 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 51' ' ' LEU . 10.9 mp -117.67 153.72 50.69 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.42 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -41.65 156.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.864 2.376 . . . . 0.0 112.177 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.11 120.77 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.769 2.313 . . . . 0.0 112.193 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.69 5.65 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.467 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 47.0 m95 -60.76 135.74 57.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -1.156 . . . . 0.0 109.465 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.41 152.52 47.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 9' ' ' ASP . 25.6 pttm -136.73 145.41 44.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.231 -0.918 . . . . 0.0 109.469 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -124.72 153.79 41.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 109.428 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -127.12 114.25 17.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 109.53 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -107.85 130.12 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 109.525 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.2 mt -99.0 120.56 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 105.14 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.355 -0.841 . . . . 0.0 109.453 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -100.09 -8.28 23.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.357 -0.84 . . . . 0.0 109.52 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -89.52 129.57 35.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.532 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 154.37 26.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.842 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -64.07 -38.9 92.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -1.164 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -61.74 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.892 . . . . 0.0 109.465 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.06 142.46 16.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.83 -23.61 4.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -76.06 137.71 40.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.153 . . . . 0.0 109.449 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.601 ' CB ' HH22 ' A' ' 67' ' ' ARG . 61.2 p -135.36 156.29 49.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.465 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -130.76 152.22 50.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.331 -0.856 . . . . 0.0 109.434 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.89 131.72 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -115.27 150.35 36.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.917 . . . . 0.0 109.412 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -125.38 139.37 53.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -122.17 136.87 54.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.261 -0.9 . . . . 0.0 109.535 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.3 p -104.31 171.48 5.0 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 0.0 109.444 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.55 -23.35 64.42 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -73.08 -2.08 19.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.538 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.56 0.42 54.02 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 32.9 ttpt -73.88 142.72 46.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.287 -1.125 . . . . 0.0 109.551 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -91.05 138.59 31.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 57.0 m-85 -123.54 154.02 39.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 47' ' ' SER . 61.9 mtm180 -139.36 113.3 8.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.483 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.724 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 6.0 p 93.36 154.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.894 . . . . 0.0 109.461 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 26.2 tttt -61.74 -43.56 88.17 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.443 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 53.3 Cg_exo -48.53 -38.56 35.86 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.893 2.396 . . . . 0.0 112.275 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.629 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 34.8 tp60 -72.4 -51.31 20.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 13' ' ' LEU . 41.5 tp -63.94 -43.24 96.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.86 65.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.184 -0.947 . . . . 0.0 109.609 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.629 ' NH2' ' NE2' ' A' ' 50' ' ' GLN . 48.8 mtm-85 -62.26 -36.52 82.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.316 -0.865 . . . . 0.0 109.586 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.76 -51.41 62.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 61' ' ' LEU . 1.5 mp -63.85 -26.13 68.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.08 -137.09 35.54 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -107.27 35.59 3.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.63 -22.23 18.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' HB ' HD23 ' A' ' 55' ' ' LEU . 41.3 t -146.92 152.96 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -99.76 116.43 31.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 55' ' ' LEU . 95.7 mt -96.39 12.29 31.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -60.07 -43.08 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.32 13.64 5.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.51 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -112.13 125.15 53.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -80.39 -172.28 3.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.0 109.427 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 47' ' ' SER . 61.5 t80 -132.01 -56.12 0.98 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.524 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -59.85 -44.76 93.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 69' ' ' GLY . 24.5 p -101.76 1.09 36.91 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.287 -0.883 . . . . 0.0 109.479 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 35.33 78.25 0.04 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -145.65 167.78 22.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -1.089 . . . . 0.0 109.536 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.494 179.589 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.32 168.39 20.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -1.127 . . . . 0.0 109.507 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 p -141.11 150.24 42.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.883 . . . . 0.0 109.449 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -82.64 154.09 25.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.436 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 131.16 21.94 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.428 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -72.71 -24.53 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.86 2.374 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.08 -41.52 11.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.475 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.9 mm? -73.13 143.42 83.58 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.46 152.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.194 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -50.53 123.25 11.0 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.86 2.374 . . . . 0.0 112.198 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.82 -30.7 6.71 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 21.6 m95 -60.67 136.62 58.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -1.18 . . . . 0.0 109.462 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.58 152.09 42.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -135.2 144.16 46.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.476 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -132.02 148.94 52.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.443 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.9 122.83 35.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -113.34 130.83 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -101.09 132.14 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.205 -0.934 . . . . 0.0 109.45 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.04 106.93 0.22 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.536 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -91.61 -12.37 34.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.427 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -102.32 131.53 48.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.43 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.71 143.04 11.02 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.689 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.3 tp -70.26 -33.19 71.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -1.114 . . . . 0.0 109.487 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 30' ' ' ALA . 5.8 t -61.81 25.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.237 -0.914 . . . . 0.0 109.443 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.689 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.42 149.65 0.11 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.0 109.5 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.12 -21.2 5.54 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttt -80.67 125.84 30.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 0.0 109.492 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 m -132.1 154.69 49.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -0.918 . . . . 0.0 109.524 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -126.86 147.17 50.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 t -105.9 130.18 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.261 -0.899 . . . . 0.0 109.566 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -115.55 140.55 49.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 109.394 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -123.45 139.07 54.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -114.39 131.05 56.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.473 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.597 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -99.67 165.54 14.49 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.06 -19.6 49.56 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.807 2.338 . . . . 0.0 112.227 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -5.18 54.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 0.0 109.459 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.04 88.44 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.39 138.51 36.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.145 . . . . 0.0 109.49 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -99.58 147.1 25.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 0.0 109.419 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.58 156.37 34.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.549 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 64.2 mtm180 -132.63 109.35 9.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.431 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.1 p 91.35 158.79 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.937 . . . . 0.0 109.449 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.7 ttmt -62.32 -44.85 89.46 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.484 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.0 Cg_exo -48.43 -35.38 28.07 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.896 2.397 . . . . 0.0 112.262 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -78.46 -51.12 10.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.2 -43.33 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.557 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.19 -45.87 75.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.532 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -60.49 -33.55 72.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.556 -179.595 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.43 -51.63 62.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.2 mt -73.09 -34.18 66.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.591 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.78 -171.02 54.54 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' VAL . 5.5 m120 -63.15 -22.57 66.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 0.0 109.436 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.3 -22.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.494 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.0 t -140.32 140.08 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.07 117.51 34.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.248 -0.908 . . . . 0.0 109.485 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.56 16.56 21.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.44 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -58.56 -44.02 89.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.49 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 70.2 m -86.19 11.35 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.928 . . . . 0.0 109.5 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -113.28 113.28 25.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -100.89 108.21 19.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.447 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CZ ' ' NH1' ' A' ' 67' ' ' ARG . 8.2 p90 -61.91 -34.56 76.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 109.401 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.785 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.7 mmt-85 -35.4 -47.81 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.173 -0.954 . . . . 0.0 109.511 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -124.38 12.3 8.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.912 . . . . 0.0 109.495 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.95 41.71 52.71 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.36 152.64 27.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.236 -1.155 . . . . 0.0 109.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttm . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.486 179.578 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.744 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -81.91 164.61 21.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.295 -1.121 . . . . 0.0 109.552 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.3 p -137.21 147.6 45.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.209 -0.932 . . . . 0.0 109.449 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.41 153.32 38.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.557 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -69.89 129.52 90.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.317 -0.864 . . . . 0.0 109.467 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.64 -49.97 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.244 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 -28.45 8.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -0.929 . . . . 0.0 109.477 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.15 148.66 95.99 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.4 Cg_exo -41.2 147.3 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.84 2.36 . . . . 0.0 112.164 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 53.2 Cg_exo -52.44 127.32 23.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.814 2.343 . . . . 0.0 112.219 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.46 -35.23 3.81 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 39' ' ' SER . 71.7 m95 -62.52 138.9 58.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.414 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HD3' ' HE ' ' A' ' 7' ' ' ARG . 99.5 mttt -124.25 148.88 47.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.432 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -118.58 134.19 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -127.18 148.95 50.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.893 . . . . 0.0 109.477 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.22 118.46 21.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.0 109.476 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -115.18 133.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.48 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -100.78 129.46 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 109.476 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -55.53 114.35 1.81 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.472 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.49 -16.76 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.279 -0.888 . . . . 0.0 109.511 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -102.55 130.9 49.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.9 141.84 9.98 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.1 tp -61.12 -15.77 36.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.188 -1.184 . . . . 0.0 109.48 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -72.43 23.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.501 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -46.6 129.91 11.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.19 -0.944 . . . . 0.0 109.403 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.48 -23.89 5.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 134.29 39.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -1.148 . . . . 0.0 109.439 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 15.3 t -133.45 154.8 50.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -126.89 146.97 50.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' NH2' ' A' ' 67' ' ' ARG . 2.6 t -108.12 129.39 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.24 -0.913 . . . . 0.0 109.508 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -114.68 148.04 38.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.431 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -117.44 130.11 56.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.189 -0.945 . . . . 0.0 109.468 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.39 133.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -107.75 171.57 4.49 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.916 . . . . 0.0 109.497 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.59 -20.21 8.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.314 . . . . 0.0 112.23 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.1 p -78.54 -0.88 31.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.477 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.29 3.12 36.95 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -75.8 144.83 41.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -1.187 . . . . 0.0 109.557 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.54 140.02 29.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 109.418 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -125.67 146.52 49.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 47' ' ' SER . 4.8 ptm180 -149.24 68.59 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.417 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 157.61 118.08 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.479 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 24.3 ttpt -51.1 -43.06 84.02 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 109.553 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 32.5 Cg_exo -57.68 -30.15 87.9 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.867 2.378 . . . . 0.0 112.314 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -74.37 -53.96 8.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 109.569 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 51' ' ' LEU . 2.3 tt -62.66 -44.37 96.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.99 61.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.233 -0.917 . . . . 0.0 109.567 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.93 -34.11 77.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.891 . . . . 0.0 109.581 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.54 -51.93 63.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.918 . . . . 0.0 109.57 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.8 mt -66.63 -21.7 66.12 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 109.606 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.4 -132.73 35.65 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -105.07 33.33 3.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 109.463 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.17 -23.75 16.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.481 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -144.3 147.33 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.487 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' C ' HD12 ' A' ' 61' ' ' LEU . 97.5 m-20 -98.67 115.91 29.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.0 109.485 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.3 mp -105.0 12.6 32.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.7 m -63.5 -43.89 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 0.0 109.433 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.17 -33.99 74.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.204 -0.935 . . . . 0.0 109.432 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.57 125.83 27.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.238 -0.914 . . . . 0.0 109.494 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -79.01 -159.49 0.19 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 109.457 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -135.14 -53.68 0.79 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.445 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NH1' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -68.89 -39.16 79.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 109.488 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.4 p -97.74 -12.48 22.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.96 44.55 32.13 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -117.5 157.54 26.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -1.129 . . . . 0.0 109.415 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 tpt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.476 179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' NH1' ' HD3' ' A' ' 18' ' ' LYS . 15.9 ttp180 -86.6 136.77 32.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -1.136 . . . . 0.0 109.509 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.4 p -141.93 152.2 43.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.236 -0.915 . . . . 0.0 109.406 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 53.5 p30 -75.99 157.68 32.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.442 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 13' ' ' LEU . 4.3 t -114.4 116.95 43.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.951 . . . . 0.0 109.423 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -72.31 -23.51 20.66 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.84 2.36 . . . . 0.0 112.231 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.19 -10.62 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 10' ' ' CYS . 5.4 mp -121.35 147.65 47.82 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 109.475 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -41.04 151.12 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.847 2.365 . . . . 0.0 112.139 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.8 125.62 14.78 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.856 2.37 . . . . 0.0 112.253 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.15 -32.19 4.64 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 13' ' ' LEU . 28.5 m95 -60.44 133.54 56.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -1.104 . . . . 0.0 109.408 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD3' ' NH1' ' A' ' 7' ' ' ARG . 20.7 mttp -130.37 156.27 45.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 0.0 109.471 -178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' NZ ' ' HA3' ' A' ' 69' ' ' GLY . 17.3 ptmt -148.27 152.57 37.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.0 109.484 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -126.69 158.07 37.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -127.32 115.31 18.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.59 131.8 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -102.94 133.01 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 0.0 109.418 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -61.41 107.25 0.75 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -94.82 -8.03 38.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.0 109.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -97.66 130.64 44.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.495 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 146.57 16.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.691 ' C ' ' H ' ' A' ' 30' ' ' ALA . 62.5 tp -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -1.18 . . . . 0.0 109.448 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.0 m -61.32 25.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.691 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.12 147.32 0.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.516 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.44 -21.75 5.37 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.06 125.44 30.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 0.0 109.51 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -132.05 154.29 49.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.926 . . . . 0.0 109.514 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 65.8 t0 -127.26 146.69 50.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.555 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 75.6 t -113.24 132.39 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 0.0 109.523 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.79 145.76 40.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.62 134.08 55.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.502 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -113.12 129.45 56.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.923 . . . . 0.0 109.528 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.68 161.57 26.16 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.457 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.16 -18.61 30.22 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.845 2.363 . . . . 0.0 112.244 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -81.37 -8.0 59.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.413 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 -2.14 81.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.11 137.71 40.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -1.149 . . . . 0.0 109.459 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.28 142.88 29.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.531 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.2 163.8 25.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 mtm180 -142.47 119.21 11.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 0.0 109.458 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.74 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.5 m 94.7 154.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.0 109.493 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.852 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -60.8 -48.01 94.14 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.529 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.852 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.9 Cg_endo -53.66 -29.91 53.25 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.79 2.327 . . . . 0.0 112.322 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 46' ' ' ARG . 9.6 tp-100 -76.04 -53.03 8.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.447 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.8 HD23 ' C ' ' A' ' 51' ' ' LEU . 6.8 tt -64.81 -44.75 88.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.67 76.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.578 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' HH11 ' A' ' 53' ' ' ARG . 52.0 ttm-85 -62.41 -36.25 81.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 109.672 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.84 -47.25 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.555 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 55' ' ' LEU . 90.6 mt -75.39 -31.4 60.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.875 . . . . 0.0 109.625 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.16 -173.62 48.29 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' VAL . 83.3 m-20 -64.48 -23.73 67.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.98 -24.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.892 . . . . 0.0 109.406 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.1 t -140.57 140.41 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -107.41 120.66 42.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.547 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 5.3 mp -103.19 23.17 12.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 0.0 109.473 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.5 p -60.77 -35.71 77.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.453 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.7 t -82.05 10.9 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.421 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 65' ' ' ASP . 88.2 t80 -128.51 129.2 45.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.491 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 38.9 t0 -80.04 -149.47 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.728 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 33.0 p90 -157.71 -56.54 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.462 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.728 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 14.7 ptm180 -54.05 -32.51 54.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 109.448 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -108.88 -36.96 5.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.865 . . . . 0.0 109.458 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.403 ' HA3' ' NZ ' ' A' ' 19' ' ' LYS . . . 83.22 64.23 1.67 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -138.41 158.81 43.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.289 -1.124 . . . . 0.0 109.434 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.489 1.496 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.61 170.06 16.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 109.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -141.09 149.85 42.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.449 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.98 150.44 40.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.484 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 126.51 30.59 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 109.448 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.16 -31.16 7.99 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.803 2.336 . . . . 0.0 112.204 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.65 57.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 81.7 mt -110.56 144.61 30.57 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.427 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -41.66 159.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.809 2.339 . . . . 0.0 112.155 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.57 125.39 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.862 2.375 . . . . 0.0 112.246 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.63 -31.26 6.23 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.626 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 52.7 m95 -59.51 137.48 58.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.0 150.38 44.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.437 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -131.75 141.29 49.47 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -127.62 149.46 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.393 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -126.71 116.52 21.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.16 -0.963 . . . . 0.0 109.503 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.5 t -115.15 131.78 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.414 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.26 133.71 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.179 -0.951 . . . . 0.0 109.526 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -64.11 110.89 2.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 109.434 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.9 -6.19 39.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 30.8 t -98.16 129.53 44.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 0.0 109.494 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.76 16.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.697 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.8 tp -69.02 -32.37 71.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -1.153 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 30' ' ' ALA . 90.6 p -60.77 24.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.697 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.27 145.26 0.25 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.224 -0.922 . . . . 0.0 109.552 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.51 -20.84 5.48 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.66 128.8 34.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -1.14 . . . . 0.0 109.495 178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.6 p -131.56 153.43 49.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -124.4 143.66 50.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.279 -0.888 . . . . 0.0 109.394 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.1 132.5 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -117.52 144.44 45.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.283 -0.886 . . . . 0.0 109.424 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -118.35 132.3 56.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -119.64 134.45 55.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.533 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.626 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -115.46 171.43 4.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.421 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.41 -33.61 57.5 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.839 2.359 . . . . 0.0 112.212 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -60.4 -16.6 37.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.81 -2.75 85.7 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 87.6 tttt -76.51 142.81 40.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -1.125 . . . . 0.0 109.496 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -90.13 137.6 32.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 74.7 m-85 -123.93 151.03 44.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 109.459 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.7 mtm180 -136.53 110.08 8.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 92.42 162.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.882 . . . . 0.0 109.494 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.53 -42.51 20.06 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 109.458 -178.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.7 Cg_exo -48.0 -39.34 32.78 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.879 2.386 . . . . 0.0 112.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 41.0 tt0 -78.93 -56.27 4.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 51' ' ' LEU . 8.5 tt -60.19 -19.47 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 0.0 109.552 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -76.22 -43.74 40.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.616 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.6 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 59.0 mtm-85 -61.11 -34.35 74.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.638 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -65.8 -52.48 50.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD11 ' CZ2' ' A' ' 17' ' ' TRP . 9.4 mp -62.68 -29.92 71.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.164 -0.96 . . . . 0.0 109.573 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.47 -139.64 37.73 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -100.1 34.46 2.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -1.177 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.86 -21.04 17.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.476 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -146.7 152.24 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.0 109.419 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.525 ' C ' HD12 ' A' ' 61' ' ' LEU . 40.9 t0 -104.72 119.75 39.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.169 -0.957 . . . . 0.0 109.483 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.5 mp -106.71 17.66 22.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 109.466 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -58.92 -41.74 88.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 109.499 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -87.16 30.26 0.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.95 121.39 44.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.33 167.77 20.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 16.5 m-85 -100.01 -55.8 2.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.721 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -76.77 -39.25 52.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 70' ' ' LYS . 30.7 p -93.98 -9.11 38.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 39.01 24.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 68' ' ' THR . 19.9 ttmt -94.46 167.63 11.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -1.156 . . . . 0.0 109.507 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.485 179.703 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -88.49 142.1 27.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -1.105 . . . . 0.0 109.523 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -141.79 154.62 45.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.78 152.43 42.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.136 -0.978 . . . . 0.0 109.439 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.0 121.21 48.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 0.0 109.463 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.86 -30.43 11.3 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.917 2.412 . . . . 0.0 112.267 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.93 -12.59 58.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 17' ' ' TRP . 9.5 mp -114.27 150.64 44.04 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 109.535 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.0 Cg_exo -42.88 154.9 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 112.21 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 42.0 Cg_exo -54.24 126.33 21.79 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.831 2.354 . . . . 0.0 112.268 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.83 -31.46 5.52 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CH2' ' CD2' ' A' ' 51' ' ' LEU . 51.5 m95 -59.88 139.25 57.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -1.149 . . . . 0.0 109.436 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.5 154.52 45.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HZ1' ' C ' ' A' ' 69' ' ' GLY . 14.6 ptpt -138.11 147.08 43.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -132.89 152.58 51.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -128.12 121.73 30.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.84 134.38 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.447 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -101.62 144.15 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 83.5 mtt180 -58.75 114.47 2.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.506 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -1.58 24.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.922 . . . . 0.0 109.457 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.806 ' O ' ' O ' ' A' ' 27' ' ' GLY . 4.1 t -80.02 -162.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.28 -0.887 . . . . 0.0 109.495 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' A' ' 26' ' ' SER . . . -16.91 138.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -175.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.715 ' C ' ' H ' ' A' ' 30' ' ' ALA . 56.2 tp -63.81 -37.87 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.225 -1.162 . . . . 0.0 109.446 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -55.78 9.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.26 -0.9 . . . . 0.0 109.433 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.715 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.5 -80.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.257 -0.902 . . . . 0.0 109.493 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 -17.01 0.21 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.596 ' H ' ' C ' ' A' ' 30' ' ' ALA . 98.4 mttt -81.34 130.28 34.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -1.149 . . . . 0.0 109.51 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.2 p -123.11 147.49 46.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.0 109.473 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.57 134.81 54.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.885 . . . . 0.0 109.455 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.03 130.48 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.44 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -116.41 144.62 44.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 109.441 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -117.3 129.85 56.16 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 109.501 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.89 128.84 55.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.152 -0.968 . . . . 0.0 109.503 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -112.33 167.72 8.73 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.405 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 17.2 Cg_endo -56.8 -20.43 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.859 2.373 . . . . 0.0 112.18 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.2 -17.29 61.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.424 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.26 -2.45 88.15 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.35 141.48 36.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.514 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -88.84 138.29 31.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.462 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -126.54 155.37 42.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' SER . 1.5 ptm180 -160.57 78.98 0.64 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 158.45 117.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.47 -179.234 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.688 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.7 tttp -43.31 -54.72 9.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.512 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.688 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 15.6 Cg_endo -56.75 -23.71 51.34 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.861 2.374 . . . . 0.0 112.275 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -73.38 -51.79 16.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 109.592 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' ' CH2' ' A' ' 17' ' ' TRP . 20.8 mt -64.03 -44.65 91.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 0.0 109.521 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.13 -41.55 60.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.582 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.696 HH11 ' CG ' ' A' ' 53' ' ' ARG . 2.0 ttt-85 -66.51 -38.7 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.71 -52.32 61.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.497 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 61' ' ' LEU . 97.5 mt -63.47 -23.01 67.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.557 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.81 -135.38 35.31 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.94 33.87 2.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -1.155 . . . . 0.0 109.535 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.52 -22.89 13.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.399 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HB ' HD13 ' A' ' 55' ' ' LEU . 88.4 t -141.85 142.99 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.302 -0.874 . . . . 0.0 109.493 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -101.72 118.92 37.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.488 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 55' ' ' LEU . 94.3 mt -107.1 18.6 21.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.487 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.86 31.97 0.61 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.432 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -110.18 123.76 50.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.0 109.449 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.43 -179.4 7.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.47 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -118.2 -55.54 2.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.697 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -52.1 -44.44 64.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.403 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.605 ' O ' ' C ' ' A' ' 69' ' ' GLY . 67.8 p -113.37 10.72 18.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.45 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 30.42 47.26 0.13 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' THR . 8.9 tptp -104.12 170.52 7.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -1.175 . . . . 0.0 109.463 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 109.442 179.624 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 HH21 ' HB2' ' A' ' 18' ' ' LYS . 75.8 mtp180 -75.16 155.54 36.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -1.136 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -140.88 146.01 36.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.152 -0.968 . . . . 0.0 109.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -76.41 160.29 29.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.56 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -107.94 114.83 59.58 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 109.458 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.32 -30.64 93.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.8 2.334 . . . . 0.0 112.219 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.619 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.84 -13.5 57.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.91 HD23 ' CD2' ' A' ' 17' ' ' TRP . 10.8 mp -113.34 154.29 45.39 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.0 109.472 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.68 156.18 19.46 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.864 2.376 . . . . 0.0 112.191 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.55 125.73 14.62 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.841 2.36 . . . . 0.0 112.228 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.48 -33.02 4.29 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.91 ' CD2' HD23 ' A' ' 13' ' ' LEU . 37.1 m95 -63.61 133.48 53.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.26 -1.141 . . . . 0.0 109.483 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB2' HH21 ' A' ' 7' ' ' ARG . 68.3 mttm -137.4 160.93 37.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.513 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -148.86 154.91 40.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 6' ' ' GLY . 52.8 tp10 -140.12 138.41 35.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -102.33 127.05 49.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.219 -0.926 . . . . 0.0 109.544 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.0 133.45 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.311 -0.868 . . . . 0.0 109.411 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 97.2 mt -103.31 141.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.456 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' ILE . 21.8 mmt180 -42.51 119.83 1.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 0.0 109.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -32.94 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.489 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 m -128.19 153.74 46.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.513 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 142.48 9.23 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.7 tp -65.04 -32.39 74.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -1.14 . . . . 0.0 109.529 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -62.81 24.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.925 . . . . 0.0 109.496 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.682 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.72 133.86 20.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 109.472 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.62 -24.61 4.88 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -69.25 126.09 28.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.233 -1.157 . . . . 0.0 109.412 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 3.7 p -119.78 146.0 46.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -176.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -125.98 143.69 50.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.26 -0.9 . . . . 0.0 109.395 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.64 129.13 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 0.0 109.576 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.78 146.8 36.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 7.9 m-85 -122.1 135.82 54.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 109.442 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.86 135.02 55.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.501 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.631 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -95.93 166.41 14.49 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 20.4 Cg_endo -60.57 -15.81 38.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.817 2.345 . . . . 0.0 112.246 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.5 p -81.06 -6.03 58.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.35 -4.11 85.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.91 142.88 39.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -1.145 . . . . 0.0 109.517 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -98.14 146.31 25.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.73 167.91 20.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.2 ttp180 -163.06 83.64 0.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.935 . . . . 0.0 109.443 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 155.95 124.29 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.333 -0.854 . . . . 0.0 109.449 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.785 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -49.54 -49.29 72.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.902 . . . . 0.0 109.479 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.785 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 24.5 Cg_endo -61.74 -24.54 77.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.827 2.351 . . . . 0.0 112.262 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.55 -49.86 36.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.917 . . . . 0.0 109.56 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 51' ' ' LEU . 10.8 mp -65.64 -42.08 91.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 0.0 109.553 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.54 -44.41 65.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.307 -0.871 . . . . 0.0 109.546 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.717 ' HG2' HH11 ' A' ' 53' ' ' ARG . 18.7 mtt-85 -67.11 -35.64 80.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.887 . . . . 0.0 109.583 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.36 -50.93 61.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -0.894 . . . . 0.0 109.506 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.71 -24.91 62.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.913 . . . . 0.0 109.615 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.11 -132.9 31.0 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ALA . 97.2 m-20 -96.73 -22.04 17.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -1.134 . . . . 0.0 109.45 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -43.97 -28.7 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -0.938 . . . . 0.0 109.482 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -142.19 142.91 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.0 109.475 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 45.2 p-10 -105.46 120.12 40.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.498 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mp -106.24 17.85 22.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 m -63.64 -43.37 96.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.278 -0.889 . . . . 0.0 109.441 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.8 m -71.58 -34.53 70.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.0 109.49 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 62.6 t80 -79.57 129.3 34.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.213 -0.93 . . . . 0.0 109.456 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -80.17 -141.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.31 -0.869 . . . . 0.0 109.431 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 5.2 p90 -154.47 -49.06 0.09 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.483 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 10.1 mmm180 -65.86 -45.12 83.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 0.0 109.458 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -106.13 -9.84 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.184 -0.948 . . . . 0.0 109.434 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.406 ' HA2' ' CZ ' ' A' ' 64' ' ' PHE . . . 53.92 72.77 0.49 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -134.93 147.69 49.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -1.123 . . . . 0.0 109.437 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mmt . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.704 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.586 ' NH2' ' OD1' ' A' ' 9' ' ' ASP . 2.0 tmt_? -87.19 140.36 29.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.538 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -142.13 154.0 44.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.879 . . . . 0.0 109.434 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.586 ' OD1' ' NH2' ' A' ' 7' ' ' ARG . 95.6 m-20 -72.09 155.02 40.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -113.97 125.38 29.48 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.224 -0.923 . . . . 0.0 109.512 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.58 -22.86 20.49 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.924 2.416 . . . . 0.0 112.245 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 71' ' ' MET . . . -83.1 -25.15 32.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.0 109.463 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 mt -100.99 147.25 33.45 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 109.521 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 17' ' ' TRP . 9.8 Cg_endo -53.94 165.33 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.896 2.397 . . . . 0.0 112.137 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.59 124.24 15.36 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.832 2.355 . . . . 0.0 112.215 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.17 -32.37 4.76 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CD1' ' HG2' ' A' ' 14' ' ' PRO . 45.1 m95 -61.37 138.32 58.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -1.161 . . . . 0.0 109.416 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -120.38 144.63 47.79 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.267 -0.896 . . . . 0.0 109.459 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -132.93 139.26 47.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.578 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 11.3 tm-20 -129.77 155.28 46.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.453 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 83.0 tt0 -125.78 117.13 22.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 0.0 109.489 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' OE1' ' A' ' 20' ' ' GLU . 89.4 t -106.95 129.98 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.157 -0.965 . . . . 0.0 109.478 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.0 mt -103.63 133.1 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -63.42 105.24 0.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -91.94 -7.12 49.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -0.883 . . . . 0.0 109.452 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -97.78 131.14 44.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.84 144.76 13.19 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.815 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -72.1 -43.88 64.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.111 . . . . 0.0 109.497 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 30' ' ' ALA . 50.2 m -61.43 25.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.471 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.696 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.85 164.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 0.0 109.458 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.85 -21.04 5.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 124.6 29.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -1.159 . . . . 0.0 109.462 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -128.64 151.58 49.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 0.0 109.54 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -126.47 144.68 50.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.908 . . . . 0.0 109.44 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -106.49 130.85 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.228 -0.92 . . . . 0.0 109.519 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -112.41 141.13 46.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 84.4 m-85 -120.04 132.47 55.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.473 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -118.32 133.55 55.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.455 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -105.75 166.53 11.16 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 0.0 109.506 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 12.8 Cg_endo -55.2 -12.1 4.96 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.829 2.352 . . . . 0.0 112.273 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.0 p -83.72 -5.39 59.18 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.466 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.92 0.01 67.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -77.12 143.16 39.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -1.111 . . . . 0.0 109.508 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -88.67 139.0 30.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.302 -0.874 . . . . 0.0 109.427 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 51' ' ' LEU . 56.0 m-85 -125.8 150.56 47.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.4 ttp180 -158.36 73.0 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 158.79 120.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.778 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -50.4 -49.81 75.01 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.517 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 17.5 Cg_endo -57.86 -26.11 72.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.877 2.385 . . . . 0.0 112.256 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -74.6 -50.87 16.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.575 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 45' ' ' PHE . 80.8 mt -65.65 -42.58 91.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.04 -44.78 67.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.283 -0.886 . . . . 0.0 109.594 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 53' ' ' ARG . 59.6 ttt-85 -67.61 -35.25 78.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.639 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.33 -53.45 43.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -67.39 -22.06 65.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 109.55 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -171.7 27.34 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' VAL . 47.8 p-10 -64.35 -23.19 67.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -1.128 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . . . -41.29 -25.34 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' ASN . 19.8 t -143.27 144.37 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 109.469 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.523 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 46.5 p-10 -101.51 117.85 35.75 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 0.0 109.473 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 61' ' ' LEU . 10.8 mp -101.63 12.21 37.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.6 m -60.07 -43.95 95.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.864 . . . . 0.0 109.479 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.6 m -75.37 -30.71 60.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 109.486 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 33.8 t80 -60.81 130.08 44.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.479 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 53.8 t0 -90.59 167.62 12.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.276 -0.89 . . . . 0.0 109.48 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 62.9 t80 -110.97 -56.6 2.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -55.58 -42.34 74.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 109.449 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -97.16 -38.36 9.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.474 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 64' ' ' PHE . . . 78.45 35.7 32.3 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -113.77 172.0 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.201 -1.176 . . . . 0.0 109.452 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 8.2 ttm . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.444 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -103.05 115.35 30.43 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.304 -0.872 . . . . 0.0 109.483 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' A' ' 7' ' ' ARG . 10.9 pt20 -177.93 -166.07 0.11 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -0.886 . . . . 0.0 109.504 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.05 -36.67 0.3 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.534 ' H ' ' C ' ' A' ' 5' ' ' GLN . 86.0 mtm180 -87.6 150.6 23.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.155 -1.203 . . . . 0.0 109.506 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.8 p -142.03 152.65 43.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.281 -0.887 . . . . 0.0 109.445 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 52.3 p-10 -78.22 159.32 28.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.243 -0.911 . . . . 0.0 109.451 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -92.56 123.04 63.09 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.236 -0.915 . . . . 0.0 109.537 179.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.38 -31.49 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.851 2.367 . . . . 0.0 112.264 -177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.97 -41.22 5.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.263 -0.898 . . . . 0.0 109.499 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 6.3 mp -71.83 154.58 92.76 Favored Pre-proline 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.534 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 Cg_exo -38.32 135.63 0.66 Allowed 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.819 2.346 . . . . 0.0 112.186 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.6 Cg_exo -49.59 131.84 29.19 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 0.0 112.258 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.76 -33.22 5.46 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.656 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 12.9 m95 -55.54 133.43 50.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -1.191 . . . . 0.0 109.473 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -121.65 146.69 46.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -138.08 144.89 41.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.47 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -127.35 156.11 42.52 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.221 -0.924 . . . . 0.0 109.453 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -127.79 113.02 15.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.213 -0.929 . . . . 0.0 109.552 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.2 t -107.51 131.52 57.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.245 -0.91 . . . . 0.0 109.414 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.2 mt -102.1 128.95 54.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.181 -0.949 . . . . 0.0 109.472 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -55.71 106.86 0.28 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.358 -0.838 . . . . 0.0 109.452 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -92.73 -11.02 35.02 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.195 -0.94 . . . . 0.0 109.487 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.0 t -99.0 130.43 45.34 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.335 -0.853 . . . . 0.0 109.432 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.25 143.24 11.33 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.666 ' C ' ' H ' ' A' ' 30' ' ' ALA . 9.0 tp -67.66 -31.36 71.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.185 -1.185 . . . . 0.0 109.492 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 30' ' ' ALA . 32.6 p -62.85 25.91 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.301 -0.875 . . . . 0.0 109.492 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.666 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -45.02 147.17 0.71 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.326 -0.859 . . . . 0.0 109.46 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.06 -22.88 5.33 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.713 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 83.8 tttt -78.75 128.57 33.59 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.244 -1.15 . . . . 0.0 109.459 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -132.54 154.2 50.2 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.48 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -128.34 148.12 50.66 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.172 -0.955 . . . . 0.0 109.4 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -111.2 131.77 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.201 -0.937 . . . . 0.0 109.539 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -115.21 148.53 38.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.916 . . . . 0.0 109.442 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -126.48 139.55 53.15 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.435 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.503 ' O ' ' CE3' ' A' ' 17' ' ' TRP . 84.7 m-85 -115.65 133.23 56.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.53 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.656 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -86.22 164.23 39.32 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.292 -0.88 . . . . 0.0 109.454 178.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.24 -26.42 81.72 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.892 2.394 . . . . 0.0 112.204 177.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.1 p -72.91 -28.19 62.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.302 -0.874 . . . . 0.0 109.468 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.57 0.79 23.23 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -72.62 140.57 48.08 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -1.169 . . . . 0.0 109.457 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -96.74 140.13 31.79 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -0.955 . . . . 0.0 109.427 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.69 165.6 21.51 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.238 -0.914 . . . . 0.0 109.514 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.71 ' O ' ' CB ' ' A' ' 47' ' ' SER . 23.5 mtm180 -142.44 120.47 12.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.217 -0.927 . . . . 0.0 109.423 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.71 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.9 t 92.77 154.07 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.283 -0.885 . . . . 0.0 109.393 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 36.5 tttt -63.11 -43.64 81.96 Favored Pre-proline 0 N--CA 1.49 1.529 0 O-C-N 121.19 -0.944 . . . . 0.0 109.536 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.8 Cg_exo -50.44 -32.06 32.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.889 2.393 . . . . 0.0 112.369 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -78.55 -46.92 18.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.261 -0.899 . . . . 0.0 109.563 179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.576 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 52.6 tp -65.8 -43.03 89.92 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.211 -0.931 . . . . 0.0 109.483 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.86 -45.76 82.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.543 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.696 ' HG2' HH11 ' A' ' 53' ' ' ARG . 17.5 mtt-85 -60.98 -35.81 77.78 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.608 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -65.13 -46.23 81.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.49 -28.01 67.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.27 -133.49 28.45 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.443 -1.463 . . . . 0.0 109.443 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -106.89 35.72 2.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.225 -1.162 . . . . 0.0 109.477 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.63 -21.38 17.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.223 -0.923 . . . . 0.0 109.432 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.8 t -148.4 152.59 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.226 -0.921 . . . . 0.0 109.459 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -105.67 120.51 41.86 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.321 -0.862 . . . . 0.0 109.413 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 11.0 mp -98.97 17.76 18.85 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.435 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.2 m -58.84 -43.64 90.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 68.9 m -89.15 8.27 30.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.442 178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -102.9 115.62 30.96 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.299 -0.875 . . . . 0.0 109.449 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 69' ' ' GLY . 64.5 t0 -93.72 103.39 15.54 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.303 -0.873 . . . . 0.0 109.484 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' O ' ' C ' ' A' ' 67' ' ' ARG . 26.2 p90 -64.38 -43.56 94.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.249 -0.907 . . . . 0.0 109.468 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.594 HH11 ' HG3' ' A' ' 67' ' ' ARG . 30.4 mmm-85 -36.64 -48.28 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.2 p -106.35 -24.87 12.14 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.302 -0.874 . . . . 0.0 109.408 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 83.19 40.9 8.85 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -122.79 165.49 16.52 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.511 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 8.6 ttm -114.69 137.37 51.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 109.457 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 78.3 mtm . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.474 -179.59 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.892 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.493 5.608 1 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.507 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.353 1 C4'-C3'-C2' 110.942 7.742 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.525 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.487 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.445 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.487 5.136 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.448 1 C4'-C3'-C2' 110.963 7.763 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.445 ' C2 ' ' N2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.767 1 C4'-C3'-C2' 110.911 7.711 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.446 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.76 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.412 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.555 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.133 1 C4'-C3'-C2' 110.583 7.383 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.693 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.917 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.48 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.532 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.463 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.483 4.851 1 C4'-C3'-C2' 110.905 7.705 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.713 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.75 1 C4'-C3'-C2' 110.953 7.753 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.445 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.822 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.331 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.525 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 6.003 2 C4'-C3'-C2' 110.992 7.792 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.588 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.798 1 C4'-C3'-C2' 110.957 7.757 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.639 1 C4'-C3'-C2' 110.57 7.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.533 ' O ' ' O ' ' A' ' 5' ' ' GLN . 53.8 mtpt -62.72 -85.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.263 -0.898 . . . . 0.0 109.479 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.533 ' O ' ' O ' ' A' ' 4' ' ' LYS . 28.2 mp0 41.13 96.0 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.248 -0.907 . . . . 0.0 109.448 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -175.47 -68.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -88.72 150.22 23.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.276 -1.132 . . . . 0.0 109.504 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 65.0 p -141.22 153.49 45.3 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.595 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 51.7 t0 -84.91 165.14 17.9 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.255 -0.903 . . . . 0.0 109.525 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.595 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -118.27 122.14 30.55 Favored Pre-proline 0 N--CA 1.49 1.556 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 178.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -72.96 -15.64 26.11 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.829 2.353 . . . . 0.0 112.248 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.552 ' CB ' ' SD ' ' A' ' 71' ' ' MET . . . -98.52 -41.95 7.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 -179.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.6 mp -77.41 150.31 79.65 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.237 -0.915 . . . . 0.0 109.428 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -41.15 136.64 2.28 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.82 2.346 . . . . 0.0 112.151 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -48.39 125.37 12.1 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.819 2.346 . . . . 0.0 112.187 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.17 -32.03 4.69 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.547 ' CH2' ' CD1' ' A' ' 51' ' ' LEU . 35.2 m95 -58.51 133.03 55.45 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.292 -1.122 . . . . 0.0 109.476 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -119.86 144.94 47.1 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.212 -0.93 . . . . 0.0 109.498 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 69' ' ' GLY . 32.2 mtpt -133.18 139.41 47.01 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.534 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -124.38 153.35 42.0 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.415 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -127.27 115.94 19.8 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.91 . . . . 0.0 109.527 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.8 t -112.81 131.98 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.193 -0.942 . . . . 0.0 109.46 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.3 mt -102.89 133.24 47.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.23 -0.919 . . . . 0.0 109.466 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -59.56 107.39 0.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.237 -0.914 . . . . 0.0 109.49 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -10.03 36.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.262 -0.899 . . . . 0.0 109.442 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 t -98.42 130.78 45.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.271 -0.893 . . . . 0.0 109.453 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.73 144.91 13.39 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.683 ' C ' ' H ' ' A' ' 30' ' ' ALA . 45.4 tp -68.41 -32.91 73.3 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.221 -1.164 . . . . 0.0 109.405 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 30' ' ' ALA . 81.0 p -61.75 25.12 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.508 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.0 148.5 0.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.904 . . . . 0.0 109.483 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.09 -22.72 5.34 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.628 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 88.5 tttt -79.74 130.22 35.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.211 -1.17 . . . . 0.0 109.471 178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.4 p -134.57 155.13 50.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.233 -0.917 . . . . 0.0 109.456 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.568 ' OD2' ' CZ ' ' A' ' 36' ' ' TYR . 3.0 p-10 -131.94 152.57 51.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.264 -0.897 . . . . 0.0 109.469 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.9 t -117.91 135.27 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.185 -0.947 . . . . 0.0 109.517 -179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' CZ ' ' OD2' ' A' ' 34' ' ' ASP . 97.4 m-85 -110.86 147.48 34.46 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.486 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD2' ' HG2' ' A' ' 19' ' ' LYS . 41.8 m-85 -118.21 129.51 55.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.285 -0.884 . . . . 0.0 109.469 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -115.12 131.56 56.89 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.282 -0.886 . . . . 0.0 109.498 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.464 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 p -103.06 171.13 5.47 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.447 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -19.77 58.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.827 2.351 . . . . 0.0 112.193 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.8 p -78.2 -3.6 43.47 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -0.912 . . . . 0.0 109.41 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.4 0.2 71.31 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -74.7 141.8 44.49 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -1.149 . . . . 0.0 109.48 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.23 138.66 31.23 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.217 -0.927 . . . . 0.0 109.44 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -124.93 152.65 43.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.459 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 ttp180 -143.38 116.94 9.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.253 -0.905 . . . . 0.0 109.436 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.8 p 95.94 149.91 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.407 176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.734 ' NZ ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -58.75 -44.03 98.51 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.55 -178.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 51.0 Cg_exo -52.63 -32.26 53.62 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.864 2.376 . . . . 0.0 112.255 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -77.34 -53.49 7.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.195 -0.94 . . . . 0.0 109.543 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 ' CD1' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tp -63.6 -46.71 84.53 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.234 -0.916 . . . . 0.0 109.497 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.14 70.88 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.214 -0.929 . . . . 0.0 109.509 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' HG2' HH11 ' A' ' 53' ' ' ARG . 56.2 ttt-85 -61.38 -36.5 80.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.299 -0.875 . . . . 0.0 109.596 179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -65.78 -48.31 72.25 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.191 -0.943 . . . . 0.0 109.523 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.05 -27.46 69.12 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.278 -0.889 . . . . 0.0 109.559 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 -132.05 34.4 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -105.1 33.72 3.53 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.196 -1.179 . . . . 0.0 109.477 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.23 -22.89 14.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.266 -0.896 . . . . 0.0 109.462 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.1 t -142.74 144.65 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' C ' HD22 ' A' ' 61' ' ' LEU . 58.2 t0 -98.68 115.86 29.64 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.244 -0.91 . . . . 0.0 109.504 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.734 HD12 ' NZ ' ' A' ' 48' ' ' LYS . 4.2 mm? -107.06 12.68 28.3 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.267 -0.896 . . . . 0.0 109.444 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 t -71.77 -41.89 67.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.275 -0.891 . . . . 0.0 109.43 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.46 -40.31 96.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.255 -0.903 . . . . 0.0 109.421 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.68 ' CD1' ' N ' ' A' ' 65' ' ' ASP . 5.6 t80 -100.95 153.82 19.2 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.467 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.68 ' N ' ' CD1' ' A' ' 64' ' ' PHE . 85.4 m-20 -99.86 -109.94 0.19 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.233 -0.917 . . . . 0.0 109.429 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -176.82 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -49.05 -25.57 2.13 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.276 -0.89 . . . . 0.0 109.485 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.0 p -102.18 -24.85 13.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.269 -0.894 . . . . 0.0 109.413 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.559 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . . . 72.35 23.34 78.1 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 64' ' ' PHE . 54.4 mtmt -120.46 179.41 4.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -1.152 . . . . 0.0 109.439 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.552 ' SD ' ' CB ' ' A' ' 12' ' ' ALA . 10.1 tpt -97.63 145.53 26.2 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -0.897 . . . . 0.0 109.455 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.428 ' H ' ' HB2' ' A' ' 64' ' ' PHE . 67.6 mtt . . . . . 0 N--CA 1.49 1.527 0 O-C-N 121.283 -0.886 . . . . 0.0 109.52 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.818 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.952 1 C4'-C3'-C2' 111.002 7.802 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.472 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.475 4.238 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.492 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.385 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.419 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.487 5.136 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.417 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.431 1 C4'-C3'-C2' 110.955 7.755 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.417 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.798 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.448 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.865 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.448 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.721 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.633 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . 0.401 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.503 6.415 1 C4'-C3'-C2' 110.588 7.388 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.829 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.821 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.47 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.595 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.458 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.489 5.295 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.628 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.487 5.18 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.361 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.918 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.492 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.494 5.728 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.582 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.407 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.49 5.415 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.598 1 C4'-C3'-C2' 110.596 7.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -89.5 148.42 23.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.253 -0.904 . . . . 0.0 109.489 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.556 ' OE1' ' N ' ' A' ' 5' ' ' GLN . 24.9 mp0 -87.1 88.92 7.82 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.517 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 34.35 37.62 0.09 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' GLN . 81.9 mtt-85 -84.19 141.96 30.66 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.301 -1.117 . . . . 0.0 109.523 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.0 p -141.55 150.52 42.21 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.28 -0.888 . . . . 0.0 109.428 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.549 ' OD1' ' O ' ' A' ' 17' ' ' TRP . 37.8 m-20 -120.18 124.85 46.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.209 -0.932 . . . . 0.0 109.509 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.18 153.26 61.38 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.43 -9.14 21.18 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.793 2.328 . . . . 0.0 112.267 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.99 -32.96 74.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.18 -0.95 . . . . 0.0 109.516 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 mt -116.32 149.02 42.89 Favored Pre-proline 0 N--CA 1.49 1.566 0 O-C-N 121.273 -0.892 . . . . 0.0 109.368 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -43.37 157.08 0.12 Allowed 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.8 2.333 . . . . 0.0 112.214 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.16 119.09 6.12 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.803 2.335 . . . . 0.0 112.242 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.08 -34.53 3.67 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.549 ' O ' ' OD1' ' A' ' 9' ' ' ASP . 82.4 m95 -61.0 133.91 56.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.339 -1.095 . . . . 0.0 109.459 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -122.39 144.71 48.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.511 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -120.99 135.92 55.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.242 -0.911 . . . . 0.0 109.5 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -123.64 151.35 43.14 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.252 -0.905 . . . . 0.0 109.378 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -128.09 112.39 14.54 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.5 t -104.17 130.59 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.264 -0.898 . . . . 0.0 109.469 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 24' ' ' ARG . 75.2 mt -104.69 141.9 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.204 -0.935 . . . . 0.0 109.486 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' CG ' HH11 ' A' ' 24' ' ' ARG . 0.0 OUTLIER -42.43 151.15 0.12 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.252 -0.905 . . . . 0.0 109.492 -179.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -111.74 -27.81 8.35 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.144 -0.973 . . . . 0.0 109.415 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.1 p -139.39 162.52 34.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.08 141.45 10.8 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 30' ' ' ALA . 6.7 tp -61.15 -15.19 30.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.235 -1.156 . . . . 0.0 109.478 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 93.1 p -73.34 18.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.84 126.17 11.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.251 -0.905 . . . . 0.0 109.474 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.98 -25.48 4.63 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.463 ' NZ ' ' O6 ' ' B' ' 107' ' ' ' DG' . 37.3 ttpt -82.82 144.81 29.87 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.326 -1.103 . . . . 0.0 109.495 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -144.54 162.7 35.93 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.892 . . . . 0.0 109.54 -177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -129.18 149.5 50.96 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.279 -0.888 . . . . 0.0 109.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 67' ' ' ARG . 18.7 t -102.79 129.05 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.164 -0.96 . . . . 0.0 109.487 -179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -115.07 147.17 40.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.334 -0.854 . . . . 0.0 109.404 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -123.96 137.56 54.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.491 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -118.25 133.75 55.62 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.197 -0.939 . . . . 0.0 109.444 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 1.4 p -94.34 157.75 36.91 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.308 -0.87 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -56.72 -11.83 7.7 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.82 2.347 . . . . 0.0 112.199 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.6 m -83.99 -4.87 59.05 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.204 -0.935 . . . . 0.0 109.454 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.28 -3.71 85.44 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -76.58 141.25 41.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.248 -1.148 . . . . 0.0 109.511 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -92.35 144.05 25.78 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.232 -0.917 . . . . 0.0 109.442 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -128.43 154.17 46.33 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.239 -0.913 . . . . 0.0 109.517 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 47' ' ' SER . 5.1 ptm180 -159.23 66.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.299 -0.876 . . . . 0.0 109.492 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.48 ' OG ' ' HG2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER 166.27 119.87 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 109.452 -178.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.711 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 26.3 tttt -45.77 -54.15 17.35 Favored Pre-proline 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.482 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.711 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 14.3 Cg_endo -57.29 -22.96 51.8 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.824 2.349 . . . . 0.0 112.273 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -75.83 -52.2 10.89 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.284 -0.885 . . . . 0.0 109.554 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.6 tp -64.32 -44.56 91.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.94 . . . . 0.0 109.58 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.6 -42.76 71.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.271 -0.893 . . . . 0.0 109.537 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.602 ' HG3' HH11 ' A' ' 53' ' ' ARG . 23.2 ttm-85 -61.91 -38.03 86.85 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.271 -0.893 . . . . 0.0 109.609 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -64.88 -48.9 72.55 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.58 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.89 -28.48 66.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.912 . . . . 0.0 109.57 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.61 -131.9 26.74 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.44 36.35 2.54 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.201 -1.176 . . . . 0.0 109.507 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -95.0 -22.46 17.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.257 -0.902 . . . . 0.0 109.374 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.59 151.16 14.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.304 -0.872 . . . . 0.0 109.419 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 42.5 p-10 -100.1 117.22 33.91 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 61' ' ' LEU . 9.0 mp -99.93 15.08 28.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 109.485 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.6 p -57.15 -37.5 72.14 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.266 -0.896 . . . . 0.0 109.472 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.614 ' O ' ' N ' ' A' ' 72' ' ' MET . 29.8 m -97.64 6.87 47.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.241 -0.912 . . . . 0.0 109.519 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -98.75 116.28 30.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.285 -0.884 . . . . 0.0 109.486 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.609 ' O ' ' N ' ' A' ' 69' ' ' GLY . 89.4 m-20 -98.1 103.8 15.78 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 109.472 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.555 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 6.4 p90 -64.37 -41.0 96.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.27 -0.894 . . . . 0.0 109.474 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.555 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 11.5 ptp180 -56.58 -22.74 35.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.23 -0.919 . . . . 0.0 109.463 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.3 p -120.52 -10.79 9.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.218 -0.926 . . . . 0.0 109.538 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 57.08 35.59 70.24 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -126.61 159.24 34.14 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.252 -1.146 . . . . 0.0 109.505 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 92.4 mmm -90.03 147.43 23.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.187 -0.946 . . . . 0.0 109.446 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.614 ' N ' ' O ' ' A' ' 63' ' ' CYS . 58.5 ttm . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.543 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.715 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.677 1 C4'-C3'-C2' 110.987 7.787 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.434 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.932 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.519 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.485 5.015 1 C4'-C3'-C2' 110.873 7.673 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.493 5.597 1 C4'-C3'-C2' 110.849 7.649 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.4 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.493 5.586 2 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.4 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.485 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.678 1 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.463 ' O6 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.79 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.407 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.957 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.606 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.381 1 C4'-C3'-C2' 110.581 7.381 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.936 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.109 1 C4'-C3'-C2' 111.009 7.809 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.789 1 C4'-C3'-C2' 110.856 7.656 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.472 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.488 5.256 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.472 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.661 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.485 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.558 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.093 1 C4'-C3'-C2' 110.963 7.763 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.519 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.903 1 C4'-C3'-C2' 110.941 7.741 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.603 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.786 1 C4'-C3'-C2' 110.898 7.698 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.652 1 C4'-C3'-C2' 110.604 7.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.478 ' O ' ' C ' ' A' ' 5' ' ' GLN . 48.7 mtmt -78.88 136.15 37.22 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.282 -0.886 . . . . 0.0 109.476 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.772 ' O ' ' N ' ' A' ' 7' ' ' ARG . 98.5 mm-40 39.12 67.96 0.4 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.274 -0.891 . . . . 0.0 109.499 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . -41.04 80.49 0.0 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 5' ' ' GLN . 94.5 mtt180 -76.21 169.95 17.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -1.137 . . . . 0.0 109.513 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.1 p -136.72 148.36 47.26 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.461 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.31 148.83 51.01 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.302 -0.874 . . . . 0.0 109.488 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -77.17 119.96 79.64 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.273 -0.892 . . . . 0.0 109.491 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -76.28 -50.9 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.889 2.393 . . . . 0.0 112.235 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 -28.51 8.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.198 -0.939 . . . . 0.0 109.521 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mt -69.94 148.18 96.18 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 62.1 Cg_exo -39.19 152.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.844 2.363 . . . . 0.0 112.202 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 43.6 Cg_exo -54.32 147.98 43.7 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.829 2.353 . . . . 0.0 112.265 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.69 -26.81 7.78 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.622 ' CZ2' ' OG ' ' A' ' 39' ' ' SER . 15.9 m95 -63.69 135.75 56.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.176 -1.191 . . . . 0.0 109.458 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -131.07 151.52 51.34 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.13 -0.982 . . . . 0.0 109.506 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -138.36 144.92 40.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.256 -0.902 . . . . 0.0 109.557 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.555 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 12.9 tm-20 -127.65 169.53 13.67 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.48 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 82.6 tt0 -128.81 108.82 10.76 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.331 -0.856 . . . . 0.0 109.424 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.543 HG23 ' OE1' ' A' ' 20' ' ' GLU . 87.0 t -94.58 128.52 45.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.31 -0.869 . . . . 0.0 109.469 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ARG . 81.7 mt -107.21 139.11 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.254 -0.904 . . . . 0.0 109.437 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ILE . 23.2 mmt180 -42.14 114.46 0.56 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.447 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -81.47 -29.14 33.82 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.232 -0.918 . . . . 0.0 109.472 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -133.81 159.17 41.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.274 -0.891 . . . . 0.0 109.494 -178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.22 142.07 11.46 Favored Glycine 0 N--CA 1.49 2.233 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.537 ' C ' ' H ' ' A' ' 30' ' ' ALA . 7.8 tt -65.53 -16.05 63.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.203 -1.175 . . . . 0.0 109.47 -179.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 t -71.16 23.71 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.394 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.59 130.72 32.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.189 -0.944 . . . . 0.0 109.475 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.94 -29.55 3.91 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -79.41 139.08 37.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.232 -1.157 . . . . 0.0 109.451 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -136.51 157.02 47.77 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.534 -176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -128.94 144.9 51.32 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.277 -0.89 . . . . 0.0 109.486 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 67' ' ' ARG . 22.0 t -105.93 126.19 61.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.231 -0.918 . . . . 0.0 109.505 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -108.49 152.9 24.09 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.312 -0.868 . . . . 0.0 109.413 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.539 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 92.3 m-85 -130.26 144.53 51.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.338 -0.851 . . . . 0.0 109.458 -179.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.04 136.07 54.01 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.234 -0.916 . . . . 0.0 109.446 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.622 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -93.08 164.62 20.89 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.334 -0.854 . . . . 0.0 109.422 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.26 -17.93 62.44 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.899 2.4 . . . . 0.0 112.205 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.4 p -86.5 -6.57 58.86 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.269 -0.894 . . . . 0.0 109.495 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.68 -2.68 73.6 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -75.3 134.94 40.94 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -1.156 . . . . 0.0 109.469 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -104.54 145.48 30.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.309 -0.869 . . . . 0.0 109.504 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.791 ' CD1' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -143.49 -177.35 5.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.923 . . . . 0.0 109.559 178.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.632 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.9 ttp180 -169.67 86.63 0.14 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 -179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.632 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 154.26 138.1 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.483 -179.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.791 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 7.7 tttm -57.07 -49.46 93.86 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.222 -0.924 . . . . 0.0 109.517 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.791 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 21.5 Cg_endo -60.44 -29.3 88.42 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.807 2.338 . . . . 0.0 112.368 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -74.53 -44.8 49.49 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.244 -0.91 . . . . 0.0 109.571 178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 45' ' ' PHE . 96.1 mt -65.75 -43.0 90.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.224 -0.922 . . . . 0.0 109.577 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.72 -43.45 72.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.233 -0.917 . . . . 0.0 109.555 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -66.22 -37.43 85.54 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -71.38 -47.99 52.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.214 -0.929 . . . . 0.0 109.639 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD21 ' CH2' ' A' ' 17' ' ' TRP . 4.3 mm? -64.64 -24.44 67.58 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.237 -0.914 . . . . 0.0 109.604 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.17 -179.71 5.47 Favored Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 59' ' ' VAL . 98.4 m-20 -64.26 -25.45 68.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -1.116 . . . . 0.0 109.491 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.36 -26.44 0.11 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.276 -0.89 . . . . 0.0 109.425 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' ASN . 61.9 t -143.17 144.52 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.227 -0.921 . . . . 0.0 109.46 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.508 ' C ' HD12 ' A' ' 61' ' ' LEU . 42.8 t0 -108.21 120.61 42.84 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.226 -0.921 . . . . 0.0 109.55 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.845 ' N ' HD12 ' A' ' 61' ' ' LEU . 5.4 mp -95.8 20.11 10.35 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.204 -0.935 . . . . 0.0 109.457 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 66.0 m -58.17 -42.67 86.54 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 72' ' ' MET . 1.6 m -77.94 8.4 4.72 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.28 -0.887 . . . . 0.0 109.438 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CZ ' ' HA2' ' A' ' 69' ' ' GLY . 36.1 t80 -96.3 122.23 38.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.914 . . . . 0.0 109.459 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 66' ' ' PHE . 71.0 m-20 -70.34 -92.99 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 0.0 109.439 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.539 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 5.0 t80 163.65 -69.08 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.273 -0.892 . . . . 0.0 109.497 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HA ' HG21 ' A' ' 35' ' ' VAL . 86.7 mtm180 -69.61 -40.48 76.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.186 -0.946 . . . . 0.0 109.452 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.551 ' O ' ' C ' ' A' ' 69' ' ' GLY . 12.9 p -94.44 1.75 55.78 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.29 -0.881 . . . . 0.0 109.498 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.551 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 34.41 48.63 0.65 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -109.57 170.17 8.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.245 -1.15 . . . . 0.0 109.518 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -104.9 148.26 26.87 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.205 -0.934 . . . . 0.0 109.429 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.427 ' H ' ' HB3' ' A' ' 63' ' ' CYS . 53.3 ttp . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.214 -0.929 . . . . 0.0 109.436 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.696 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.954 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.474 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.92 1 C4'-C3'-C2' 110.917 7.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.503 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.381 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.428 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.099 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.405 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.495 5.799 2 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.405 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.438 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.7 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.412 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.481 4.657 1 C4'-C3'-C2' 110.85 7.65 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.412 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.568 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.477 ' CYA' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.503 6.363 1 C4'-C3'-C2' 110.641 7.441 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.723 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.89 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.667 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.463 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.484 4.925 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.463 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.929 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.438 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.418 1 C4'-C3'-C2' 110.91 7.71 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.425 1 C4'-C3'-C2' 110.881 7.681 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.503 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.501 6.238 2 C4'-C3'-C2' 110.867 7.667 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.497 5.948 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.408 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 5' ' ' GLN . 97.3 m-20 . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' O ' ' O ' ' A' ' 5' ' ' GLN . 72.2 mmtt 42.86 23.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -0.915 . . . . 0.0 109.525 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.585 ' O ' ' O ' ' A' ' 4' ' ' LYS . 77.1 mt-30 54.73 152.72 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.208 -0.932 . . . . 0.0 109.49 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.02 41.74 0.34 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -85.0 139.0 32.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -1.161 . . . . 0.0 109.485 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.2 p -142.19 152.94 43.62 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.297 -0.877 . . . . 0.0 109.461 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 51.6 p-10 -75.22 156.31 35.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.911 . . . . 0.0 109.448 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.03 120.15 35.84 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.204 -0.935 . . . . 0.0 109.421 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -73.36 -25.12 15.8 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.757 2.305 . . . . 0.0 112.241 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.92 -18.09 54.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.286 -0.884 . . . . 0.0 109.462 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 48.6 mt -111.69 143.22 28.15 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.247 -0.908 . . . . 0.0 109.483 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -41.03 160.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.785 2.323 . . . . 0.0 112.231 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.62 129.85 36.84 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 122.864 2.376 . . . . 0.0 112.24 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.53 -32.07 6.07 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.898 ' CH2' HD11 ' A' ' 51' ' ' LEU . 63.9 m95 -60.23 135.73 57.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.207 -1.172 . . . . 0.0 109.47 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -129.79 154.03 47.64 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.281 -0.887 . . . . 0.0 109.53 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -138.74 146.35 41.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.251 -0.906 . . . . 0.0 109.513 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -125.37 158.84 33.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.269 -0.894 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -129.37 112.4 13.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.473 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.1 t -109.23 132.56 57.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.166 -0.959 . . . . 0.0 109.445 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 83.4 mt -102.3 128.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.192 -0.942 . . . . 0.0 109.474 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.695 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -44.16 111.15 0.26 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.868 . . . . 0.0 109.513 -179.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -92.15 -23.19 19.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.186 -0.946 . . . . 0.0 109.49 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 p -102.6 131.66 49.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.269 -0.895 . . . . 0.0 109.511 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.93 138.78 8.75 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.9 tp -59.89 -28.17 67.33 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.282 -1.128 . . . . 0.0 109.514 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 p -61.72 24.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.233 -0.917 . . . . 0.0 109.524 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.81 138.42 29.43 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.316 -0.865 . . . . 0.0 109.44 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.58 -25.44 4.76 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -70.35 129.39 39.16 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.248 -1.148 . . . . 0.0 109.421 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 t -117.89 144.55 45.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.527 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -126.21 142.32 51.57 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.181 -0.95 . . . . 0.0 109.394 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.89 128.71 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.933 . . . . 0.0 109.57 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -112.05 151.23 29.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.283 -0.886 . . . . 0.0 109.449 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -122.51 132.96 54.57 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.301 -0.875 . . . . 0.0 109.472 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -119.0 135.56 54.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.255 -0.903 . . . . 0.0 109.448 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.444 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -82.04 166.21 38.48 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.256 -0.903 . . . . 0.0 109.419 179.308 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.0 Cg_endo -58.66 -26.04 77.71 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.895 2.397 . . . . 0.0 112.146 177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.2 p -74.88 -29.02 60.89 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.272 -0.892 . . . . 0.0 109.438 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.19 7.82 16.07 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.486 -1.445 . . . . 0.0 109.486 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -74.31 142.82 45.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -1.098 . . . . 0.0 109.484 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.61 135.51 34.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.296 -0.877 . . . . 0.0 109.504 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -131.57 162.75 29.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.258 -0.901 . . . . 0.0 109.438 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.756 ' O ' ' CB ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -148.87 121.41 8.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.242 -0.911 . . . . 0.0 109.515 -179.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.756 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.6 m 99.44 144.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.261 -0.9 . . . . 0.0 109.479 175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.814 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 1.6 ttpm? -56.85 -49.12 95.67 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.524 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.814 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.4 Cg_endo -51.93 -32.19 46.53 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.85 2.367 . . . . 0.0 112.261 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.8 tp60 -73.07 -52.0 15.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.299 -0.876 . . . . 0.0 109.609 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -65.58 -43.24 90.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.264 -0.897 . . . . 0.0 109.505 178.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' HA ' HD21 ' A' ' 55' ' ' LEU . . . -53.13 -42.2 65.81 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.269 -0.895 . . . . 0.0 109.563 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.714 HH11 ' CG ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -66.01 -36.31 82.94 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.235 -0.915 . . . . 0.0 109.601 179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -63.66 -53.9 44.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.247 -0.908 . . . . 0.0 109.481 -178.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLY . 2.8 pp -69.58 -21.35 63.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.239 -0.913 . . . . 0.0 109.597 -178.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 55' ' ' LEU . . . 67.27 -128.83 28.27 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -106.15 34.67 3.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.258 -1.142 . . . . 0.0 109.512 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.85 18.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.227 -0.92 . . . . 0.0 109.451 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 36.4 t -145.54 149.84 16.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.511 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' C ' HD12 ' A' ' 61' ' ' LEU . 48.3 t0 -98.43 117.26 32.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.213 -0.929 . . . . 0.0 109.485 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 55' ' ' LEU . 10.8 mp -105.5 18.99 21.32 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.254 -0.904 . . . . 0.0 109.398 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.3 t -55.38 -43.6 75.31 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.46 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.546 ' O ' ' O ' ' A' ' 70' ' ' LYS . 0.5 OUTLIER -86.55 25.52 1.22 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.177 -0.952 . . . . 0.0 109.4 179.186 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -95.84 122.06 38.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.239 -0.913 . . . . 0.0 109.524 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.777 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.5 t0 -97.84 115.3 27.79 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.262 -0.899 . . . . 0.0 109.453 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 67' ' ' ARG . 75.6 t80 -54.55 -47.4 73.27 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.222 -0.923 . . . . 0.0 109.439 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.497 ' C ' ' O ' ' A' ' 66' ' ' PHE . 2.1 tpm_? -38.41 -45.3 1.01 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.24 -0.913 . . . . 0.0 109.488 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.6 p -139.99 -38.36 0.46 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.301 -0.874 . . . . 0.0 109.521 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.777 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 94.08 74.86 1.27 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' O ' ' O ' ' A' ' 63' ' ' CYS . 10.3 ptpp? -114.32 165.58 12.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -1.126 . . . . 0.0 109.471 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' MET . 18.0 ttm -118.31 129.89 55.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' MET . 99.3 mmm . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.248 -0.908 . . . . 0.0 109.482 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.887 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.466 3.504 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.515 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.468 3.72 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.469 1 C4'-C3'-C2' 110.954 7.754 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.408 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.487 5.168 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.425 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.489 5.299 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.425 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.76 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.425 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.485 5.03 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.889 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.557 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.24 1 C4'-C3'-C2' 110.585 7.385 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.75 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.111 1 C4'-C3'-C2' 110.998 7.798 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.437 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.775 1 C4'-C3'-C2' 110.994 7.794 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.455 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.489 5.325 1 C4'-C3'-C2' 110.897 7.697 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.455 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.773 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.438 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.528 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.921 1 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.508 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.441 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.49 5.379 1 C4'-C3'-C2' 110.88 7.68 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.466 3.526 1 C4'-C3'-C2' 110.654 7.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.6 t0 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.339 0.59 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -87.65 -8.31 56.33 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.457 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.588 ' O ' ' C ' ' A' ' 6' ' ' GLY . 16.2 pt20 -145.2 -40.65 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.294 -0.879 . . . . 0.0 109.484 -179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.588 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 30.73 42.75 0.07 OUTLIER Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' GLN . 99.0 mtt180 -84.45 143.88 29.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.253 -1.145 . . . . 0.0 109.514 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 p -142.16 152.15 42.9 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.144 -0.972 . . . . 0.0 109.468 -179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -73.88 154.68 39.33 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 109.478 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 t -115.16 131.38 23.58 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.264 -0.898 . . . . 0.0 109.415 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -71.97 -22.77 22.68 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.783 2.322 . . . . 0.0 112.264 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.502 ' C ' HD22 ' A' ' 13' ' ' LEU . . . -81.15 -28.64 34.98 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.495 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 13' ' ' LEU . 3.0 mm? -102.39 152.23 38.29 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.312 -0.868 . . . . 0.0 109.539 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.0 165.96 15.4 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.818 2.346 . . . . 0.0 112.193 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.64 126.69 20.36 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.845 2.363 . . . . 0.0 112.209 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -35.84 3.4 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.461 ' CG ' ' HB3' ' A' ' 13' ' ' LEU . 64.0 m95 -67.53 140.27 56.99 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.243 -1.151 . . . . 0.0 109.462 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -128.49 154.79 45.75 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.428 -178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.772 ' HZ2' HG13 ' A' ' 35' ' ' VAL . 26.7 tttp -127.92 137.82 52.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -128.74 150.5 50.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.218 -0.927 . . . . 0.0 109.469 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -129.73 122.66 29.32 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.238 -0.914 . . . . 0.0 109.492 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.4 t -112.4 131.96 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.268 -0.895 . . . . 0.0 109.427 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.95 129.79 52.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.223 -0.923 . . . . 0.0 109.478 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.676 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -48.13 110.77 0.36 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.211 -0.931 . . . . 0.0 109.434 -179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -90.78 -19.27 23.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.283 -0.886 . . . . 0.0 109.47 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.6 p -106.19 132.86 51.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.248 -0.908 . . . . 0.0 109.455 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.97 140.76 8.16 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.694 ' C ' ' H ' ' A' ' 30' ' ' ALA . 57.4 tp -66.81 -33.3 75.32 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.199 -1.177 . . . . 0.0 109.474 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 t -60.36 26.04 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.202 -0.936 . . . . 0.0 109.521 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.694 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.71 143.61 3.81 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.192 -0.942 . . . . 0.0 109.48 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.34 -24.27 5.02 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.717 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 63.3 tttm -77.16 133.21 39.02 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.217 -1.166 . . . . 0.0 109.468 178.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -132.25 153.95 50.12 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.479 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 51.4 t0 -127.47 146.58 50.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.91 . . . . 0.0 109.409 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.772 HG13 ' HZ2' ' A' ' 19' ' ' LYS . 40.2 t -107.0 130.47 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.218 -0.926 . . . . 0.0 109.529 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -116.03 146.54 42.08 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.516 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -119.13 131.15 55.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.259 -0.9 . . . . 0.0 109.458 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -114.57 132.34 56.37 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.279 -0.888 . . . . 0.0 109.505 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.451 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -100.28 159.94 28.39 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.436 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.95 -15.45 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.784 2.323 . . . . 0.0 112.257 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.99 -2.89 46.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.228 -0.92 . . . . 0.0 109.515 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.52 0.84 88.11 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.03 142.25 36.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -1.158 . . . . 0.0 109.411 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.46 144.45 25.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 0.0 109.453 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CE1' ' OG ' ' A' ' 39' ' ' SER . 41.6 m-85 -124.46 144.71 49.93 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.278 -0.889 . . . . 0.0 109.464 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 47' ' ' SER . 7.9 ptm180 -147.46 63.1 1.15 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.17 -0.956 . . . . 0.0 109.483 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.515 ' OG ' ' P ' ' C' ' 115' ' ' 5CM . 0.5 OUTLIER 164.63 115.13 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.225 -0.922 . . . . 0.0 109.483 -178.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.771 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 3.1 tmmm? -44.43 -50.61 22.4 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.903 . . . . 0.0 109.465 179.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.771 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 19.0 Cg_endo -57.44 -24.43 60.97 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.82 2.347 . . . . 0.0 112.35 178.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -73.98 -53.48 9.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -0.94 . . . . 0.0 109.619 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.0 tp -62.83 -46.49 87.69 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.307 -0.87 . . . . 0.0 109.546 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.48 -41.75 61.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.243 -0.911 . . . . 0.0 109.58 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' HH11 ' A' ' 53' ' ' ARG . 49.2 ttm-85 -64.34 -39.51 94.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.331 -0.855 . . . . 0.0 109.662 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -62.22 -49.84 74.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.146 -0.971 . . . . 0.0 109.532 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 55' ' ' LEU . 98.2 mt -64.33 -24.15 67.55 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.262 -0.899 . . . . 0.0 109.507 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.21 -132.94 36.25 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -104.74 32.68 3.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.244 -1.151 . . . . 0.0 109.491 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.88 -22.66 16.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.288 -0.883 . . . . 0.0 109.501 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.4 t -145.45 149.97 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 109.453 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.499 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 44.7 p-10 -103.3 119.46 38.92 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.506 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.437 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.7 mp -107.05 14.93 25.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.9 m -62.76 -43.54 98.53 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.283 -0.886 . . . . 0.0 109.531 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 81.2 m -76.56 -27.24 55.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 48.4 t80 -66.77 129.39 39.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.463 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.526 ' O ' ' CE2' ' A' ' 64' ' ' PHE . 91.8 m-20 -82.98 -170.41 3.01 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.181 -0.949 . . . . 0.0 109.438 179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -130.94 -53.53 1.05 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.231 -0.918 . . . . 0.0 109.497 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.672 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.6 mmt-85 -61.11 -42.72 99.05 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.298 -0.876 . . . . 0.0 109.454 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.43 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 23.5 p -104.68 -2.3 25.16 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.266 -0.897 . . . . 0.0 109.471 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.34 35.08 14.35 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' H ' ' HB2' ' A' ' 65' ' ' ASP . 95.7 mttt -113.44 161.87 16.81 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.172 -1.193 . . . . 0.0 109.459 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.5 mtt -89.37 148.13 23.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.266 -0.896 . . . . 0.0 109.417 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.3 ttt . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.243 -0.911 . . . . 0.0 109.439 -179.63 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.749 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.501 6.219 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.482 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.413 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.535 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.475 4.195 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.436 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.482 4.797 1 C4'-C3'-C2' 110.894 7.694 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.503 2 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.54 1 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.416 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.485 5.007 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.416 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.747 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.633 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.078 1 C4'-C3'-C2' 110.547 7.347 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.84 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.495 5.802 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.447 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.501 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.516 " H4'" HH21 ' A' ' 67' ' ' ARG . . . . . . . . 1 O4'--C1' 1.482 4.786 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.717 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.479 4.521 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.515 ' P ' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.665 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.106 1 C4'-C3'-C2' 110.901 7.701 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.535 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.496 5.865 2 C4'-C3'-C2' 110.991 7.791 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.566 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.4 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.49 5.413 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.459 3.004 1 C4'-C3'-C2' 110.614 7.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.448 ' O ' ' O ' ' A' ' 4' ' ' LYS . 26.1 t70 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' ' O ' ' A' ' 3' ' ' ASP . 65.1 mmtt 46.37 93.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.278 -0.889 . . . . 0.0 109.487 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -81.11 -163.85 0.66 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 109.462 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -163.73 -73.1 0.03 OUTLIER Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -75.16 163.38 27.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -1.166 . . . . 0.0 109.489 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.2 p -140.23 148.59 41.75 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.295 -0.878 . . . . 0.0 109.468 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 55.8 p-10 -75.55 153.78 37.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 66.5 m -119.28 117.16 33.38 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.231 -0.918 . . . . 0.0 109.48 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -73.68 -24.72 15.51 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.847 2.364 . . . . 0.0 112.251 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.51 -17.45 48.51 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.299 -0.876 . . . . 0.0 109.462 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 12' ' ' ALA . 9.2 mp -111.1 149.03 39.9 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.283 -0.885 . . . . 0.0 109.463 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -42.7 144.02 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.699 0 C-N-CA 122.837 2.358 . . . . 0.0 112.168 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.14 124.02 10.96 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.778 2.318 . . . . 0.0 112.196 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.94 -31.07 5.08 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.556 ' CZ3' HD21 ' A' ' 51' ' ' LEU . 42.5 m95 -60.57 136.87 58.19 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.185 -1.186 . . . . 0.0 109.483 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -127.78 150.52 49.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.464 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.83 141.71 49.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 52.0 tp10 -121.31 156.14 33.19 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.217 -0.927 . . . . 0.0 109.387 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 80.8 tt0 -127.47 111.32 13.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.875 . . . . 0.0 109.524 179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.42 129.38 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ARG . 84.3 mt -106.3 145.04 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.217 -0.927 . . . . 0.0 109.464 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 23' ' ' ILE . 24.1 mmt180 -42.36 114.62 0.59 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.261 -0.9 . . . . 0.0 109.491 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.97 -30.58 31.58 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 109.461 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.2 t -128.64 153.57 47.15 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.48 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.8 137.93 8.2 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.922 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -67.01 -34.89 78.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.195 -1.18 . . . . 0.0 109.475 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.7 p -61.01 25.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.551 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.692 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -51.32 147.05 6.16 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.202 -0.936 . . . . 0.0 109.48 -178.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.23 -26.84 4.63 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -79.94 139.61 37.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.206 -1.173 . . . . 0.0 109.43 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -138.89 158.77 43.6 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.21 -0.932 . . . . 0.0 109.534 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 67.5 t0 -127.91 145.18 51.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 61.2 t -103.45 126.34 57.88 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.236 -0.915 . . . . 0.0 109.499 -178.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -111.46 148.04 33.98 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.24 -0.912 . . . . 0.0 109.456 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.481 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 94.7 m-85 -122.54 134.7 54.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.908 . . . . 0.0 109.476 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.58 131.51 56.91 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.537 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.519 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.0 OUTLIER -101.74 171.01 5.74 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.312 -0.868 . . . . 0.0 109.469 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.63 -24.12 43.75 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.786 2.324 . . . . 0.0 112.193 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.6 p -80.12 2.37 24.35 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.257 -0.902 . . . . 0.0 109.5 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.0 6.05 63.21 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 44' ' ' LYS . 27.1 tptp -76.43 141.17 41.47 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.198 -1.178 . . . . 0.0 109.452 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' H ' ' HD2' ' A' ' 43' ' ' LYS . 9.5 ttmm -93.98 142.99 26.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.282 -0.886 . . . . 0.0 109.459 -179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.54 160.51 35.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.916 . . . . 0.0 109.461 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.736 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.8 ttp180 -148.91 123.32 9.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.42 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.736 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 13.2 p 94.35 151.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.457 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.837 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 18.2 tttm -63.8 -48.41 79.37 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.22 -0.925 . . . . 0.0 109.518 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.837 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.1 Cg_endo -53.03 -33.99 65.58 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.827 2.351 . . . . 0.0 112.323 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -73.63 -49.65 25.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.262 -0.899 . . . . 0.0 109.564 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.491 178.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.97 -41.76 78.92 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.536 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.54 ' HG2' HH11 ' A' ' 53' ' ' ARG . 54.6 ttt-85 -63.73 -39.15 93.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.231 -0.918 . . . . 0.0 109.55 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -64.13 -47.49 79.76 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.534 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.5 mt -71.69 -29.19 64.3 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.634 -179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.21 -172.13 38.38 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.537 ' O ' ' N ' ' A' ' 59' ' ' VAL . 43.5 t30 -62.47 -25.99 68.28 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -1.139 . . . . 0.0 109.503 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.7 -25.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.915 . . . . 0.0 109.447 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 57' ' ' ASN . 4.1 t -140.27 139.88 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.262 -0.899 . . . . 0.0 109.413 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -102.48 118.38 36.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.508 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.6 mp -102.7 21.61 15.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 109.403 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.7 p -60.62 -41.94 95.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.339 -0.851 . . . . 0.0 109.492 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 60.7 m -92.57 -9.36 41.43 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.266 -0.896 . . . . 0.0 109.469 179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -68.83 119.01 12.52 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.303 -0.873 . . . . 0.0 109.5 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -90.92 92.15 8.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 109.445 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.532 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 27.7 p90 -59.79 -44.29 94.0 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 109.444 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.614 ' HE ' ' CA ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -42.15 -40.39 2.32 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.225 -0.922 . . . . 0.0 109.469 179.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.0 p -99.46 -24.14 14.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.231 -0.918 . . . . 0.0 109.46 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.82 -8.59 79.59 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 72' ' ' MET . 9.8 ptpp? -150.39 138.69 20.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 63.7 mtt -52.74 95.07 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.292 -0.88 . . . . 0.0 109.517 179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.429 ' SD ' ' C ' ' A' ' 72' ' ' MET . 3.4 ppp? . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 109.438 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.985 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.66 1 C4'-C3'-C2' 110.985 7.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.526 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.472 3.995 1 C4'-C3'-C2' 110.877 7.677 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.526 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.131 1 C4'-C3'-C2' 110.952 7.752 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.31 1 C4'-C3'-C2' 110.951 7.751 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.902 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.433 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.785 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.433 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.553 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.643 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.226 1 C4'-C3'-C2' 110.544 7.344 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.769 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.729 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.482 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.699 1 C4'-C3'-C2' 110.917 7.717 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.448 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.902 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.928 1 C4'-C3'-C2' 110.88 7.68 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.483 4.81 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.304 1 C4'-C3'-C2' 110.893 7.693 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.775 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.607 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.775 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.841 1 C4'-C3'-C2' 110.567 7.367 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.578 ' O ' ' N ' ' A' ' 6' ' ' GLY . 52.6 mtpt -67.24 138.3 56.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.221 -0.925 . . . . 0.0 109.43 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' A' ' 6' ' ' GLY . 0.3 OUTLIER 42.56 19.5 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 109.408 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 4' ' ' LYS . . . 33.38 40.85 0.13 Allowed Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 5' ' ' GLN . 6.1 ptm180 -82.94 136.22 34.63 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.282 -1.128 . . . . 0.0 109.498 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.8 p -141.42 149.43 41.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.256 -0.902 . . . . 0.0 109.436 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -75.7 151.03 37.75 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.248 -0.907 . . . . 0.0 109.446 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.5 m -112.04 122.04 37.9 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.243 -0.911 . . . . 0.0 109.464 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -74.94 -29.57 8.2 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.834 2.356 . . . . 0.0 112.244 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.32 -13.2 59.98 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.202 -0.936 . . . . 0.0 109.456 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 15.9 mt -116.5 145.58 35.56 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.494 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.8 Cg_exo -40.18 153.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.819 2.346 . . . . 0.0 112.243 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.0 Cg_exo -50.44 126.93 18.97 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.757 2.305 . . . . 0.0 112.247 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.07 -31.5 5.83 Favored Glycine 0 N--CA 1.489 2.221 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.44 ' CZ2' ' HB2' ' A' ' 39' ' ' SER . 22.4 m95 -58.43 133.48 55.8 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.287 -1.125 . . . . 0.0 109.403 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -131.21 156.02 46.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.941 . . . . 0.0 109.4 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -140.43 149.2 42.3 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.289 -0.882 . . . . 0.0 109.502 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -120.54 153.51 36.62 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.246 -0.909 . . . . 0.0 109.42 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -127.55 111.41 13.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.202 -0.936 . . . . 0.0 109.5 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -106.15 129.75 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.281 -0.887 . . . . 0.0 109.407 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.42 125.65 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.484 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -48.51 106.37 0.1 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.939 . . . . 0.0 109.499 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.97 -19.18 21.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.3 -0.875 . . . . 0.0 109.436 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.8 m -101.17 132.02 46.85 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.243 -0.911 . . . . 0.0 109.493 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.36 144.15 12.39 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 30' ' ' ALA . 58.8 tp -63.77 -22.36 66.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.229 -1.159 . . . . 0.0 109.417 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.6 m -64.11 24.2 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.304 -0.872 . . . . 0.0 109.429 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.656 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.62 132.43 13.99 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.485 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.57 -25.6 4.73 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -79.53 135.6 36.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.263 -1.139 . . . . 0.0 109.424 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.5 p -138.43 157.99 45.14 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.536 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -128.33 147.81 50.64 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.283 -0.886 . . . . 0.0 109.42 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.5 t -109.81 129.39 64.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.215 -0.928 . . . . 0.0 109.541 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -111.44 148.84 32.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.223 -0.923 . . . . 0.0 109.501 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 72.8 m-85 -124.14 137.94 54.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.231 -0.918 . . . . 0.0 109.498 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.42 139.51 53.2 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.139 -0.976 . . . . 0.0 109.478 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.44 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -111.55 171.46 4.32 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.225 -0.922 . . . . 0.0 109.44 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.58 -23.23 10.51 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.834 2.356 . . . . 0.0 112.199 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 63.7 m -78.06 -5.55 51.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.454 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.86 3.49 64.03 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.48 ' CG ' ' CZ ' ' A' ' 45' ' ' PHE . 27.1 tptp -73.65 140.22 45.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.194 -1.18 . . . . 0.0 109.509 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.83 137.87 34.28 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.273 -0.892 . . . . 0.0 109.447 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.48 ' CZ ' ' CG ' ' A' ' 43' ' ' LYS . 54.2 m-85 -129.8 164.16 24.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.259 -0.901 . . . . 0.0 109.495 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.752 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.0 mtm180 -144.08 119.3 10.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.219 -0.926 . . . . 0.0 109.405 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.752 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 4.5 t 96.51 155.67 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.235 -0.916 . . . . 0.0 109.492 177.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.863 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 32.2 ttpt -62.92 -46.87 87.6 Favored Pre-proline 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.912 . . . . 0.0 109.526 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.863 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 11.3 Cg_endo -54.32 -31.93 69.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.87 2.38 . . . . 0.0 112.317 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -74.01 -54.22 8.34 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.289 -0.882 . . . . 0.0 109.555 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.797 HD23 ' C ' ' A' ' 51' ' ' LEU . 6.1 tt -66.37 -41.13 89.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.249 -0.907 . . . . 0.0 109.518 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.25 -44.14 64.74 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.237 -0.914 . . . . 0.0 109.573 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' HH11 ' A' ' 53' ' ' ARG . 80.0 mtt-85 -63.98 -34.19 77.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.346 -0.846 . . . . 0.0 109.641 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -63.0 -50.54 70.34 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.243 -0.911 . . . . 0.0 109.517 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.538 ' CD1' HD21 ' A' ' 51' ' ' LEU . 98.0 mt -66.74 -24.44 66.22 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.215 -0.928 . . . . 0.0 109.575 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.73 -131.06 31.35 Favored Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.3 p-10 -103.78 32.99 3.59 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.262 -1.14 . . . . 0.0 109.481 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.12 -21.6 17.25 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.493 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 56.0 t -144.88 147.93 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.316 -0.865 . . . . 0.0 109.471 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -103.97 120.83 41.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.279 -0.888 . . . . 0.0 109.466 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 61' ' ' LEU . 32.2 mt -114.11 20.59 15.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.192 -0.943 . . . . 0.0 109.43 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.9 m -84.25 -40.47 18.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.29 -0.881 . . . . 0.0 109.44 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 92.7 m -61.48 -44.65 96.72 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.384 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.485 ' CG ' ' N ' ' A' ' 65' ' ' ASP . 94.1 t80 -106.65 164.42 12.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.225 -0.922 . . . . 0.0 109.444 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.485 ' N ' ' CG ' ' A' ' 64' ' ' PHE . 76.7 m-20 -78.58 -117.45 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.49 ' O ' ' OH ' ' A' ' 37' ' ' TYR . 8.2 p90 -178.45 -17.46 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.179 -0.951 . . . . 0.0 109.485 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.69 HH11 ' CB ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -45.44 -40.81 8.65 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.323 -0.861 . . . . 0.0 109.539 -179.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 44.9 p -108.95 -37.55 5.81 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.309 -0.869 . . . . 0.0 109.47 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.03 49.83 2.38 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -105.44 164.94 11.48 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.291 -1.123 . . . . 0.0 109.423 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.92 137.79 51.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.452 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.4 ttm . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.223 -0.923 . . . . 0.0 109.457 -179.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.827 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.359 1 C4'-C3'-C2' 110.957 7.757 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.532 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.468 3.723 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.534 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.472 4.003 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.485 4.977 1 C4'-C3'-C2' 110.877 7.677 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.731 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.568 ' C2 ' ' N2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.922 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.42 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.485 4.978 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.42 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.028 1 C4'-C3'-C2' 110.898 7.698 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.558 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.503 6.386 1 C4'-C3'-C2' 110.66 7.46 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.749 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.499 6.096 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.44 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.921 1 C4'-C3'-C2' 110.878 7.678 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.489 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.868 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.489 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.697 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.459 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.568 ' N2 ' ' C2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.734 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.333 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.534 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.504 6.479 1 C4'-C3'-C2' 110.976 7.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.244 1 C4'-C3'-C2' 110.983 7.783 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.834 1 C4'-C3'-C2' 110.625 7.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -139.94 -164.78 1.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -69.34 108.96 3.92 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.265 -0.897 . . . . 0.0 109.51 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -79.75 154.26 37.6 Favored Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -80.0 169.36 17.98 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.491 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 p -139.08 150.46 45.75 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.898 . . . . 0.0 109.435 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.61 ' OD1' ' N ' ' A' ' 10' ' ' CYS . 56.3 t0 -80.34 158.93 25.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.229 -0.919 . . . . 0.0 109.51 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.61 ' N ' ' OD1' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -100.11 120.52 56.54 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.209 -0.932 . . . . 0.0 109.413 178.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -73.9 -25.91 13.81 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.797 2.332 . . . . 0.0 112.228 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.546 ' HB1' ' SD ' ' A' ' 71' ' ' MET . . . -100.75 -42.82 6.34 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.235 -0.915 . . . . 0.0 109.478 -178.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.8 153.96 91.2 Favored Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.499 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -39.47 136.99 1.0 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 C-N-CA 122.793 2.328 . . . . 0.0 112.155 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -48.8 126.16 14.22 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.832 2.355 . . . . 0.0 112.185 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.43 -32.08 5.0 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.463 ' CH2' HD11 ' A' ' 51' ' ' LEU . 37.5 m95 -57.28 132.59 53.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -1.144 . . . . 0.0 109.494 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -119.83 145.31 46.75 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.243 -0.911 . . . . 0.0 109.449 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -126.79 138.4 53.35 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.178 -0.951 . . . . 0.0 109.544 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -122.6 145.25 48.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.289 -0.882 . . . . 0.0 109.41 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -127.24 113.02 15.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.222 -0.924 . . . . 0.0 109.497 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.1 t -111.7 131.85 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.194 -0.941 . . . . 0.0 109.409 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.9 mt -99.74 128.62 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.172 -0.955 . . . . 0.0 109.483 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -51.11 108.08 0.22 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.336 -0.852 . . . . 0.0 109.494 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 24.8 pttm -92.85 -13.53 28.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.283 -0.885 . . . . 0.0 109.444 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -100.65 130.93 46.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.175 -0.953 . . . . 0.0 109.512 -179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.82 142.41 11.04 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.665 ' C ' ' H ' ' A' ' 30' ' ' ALA . 8.5 tp -66.39 -28.37 68.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.209 -1.171 . . . . 0.0 109.486 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.6 t -62.71 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.285 -0.884 . . . . 0.0 109.534 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.665 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -44.16 143.98 1.06 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.238 -0.914 . . . . 0.0 109.483 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.31 -22.88 5.25 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.88 134.87 35.07 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.243 -1.151 . . . . 0.0 109.469 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.6 p -136.5 157.14 47.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.569 -177.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -125.16 144.7 50.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.259 -0.901 . . . . 0.0 109.392 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.8 t -112.98 131.02 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.314 -0.866 . . . . 0.0 109.528 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -115.31 148.22 39.49 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.271 -0.893 . . . . 0.0 109.366 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -120.77 134.11 55.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.454 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -116.59 131.47 56.94 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.347 -0.845 . . . . 0.0 109.473 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.461 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -103.41 170.84 5.73 Favored Pre-proline 0 N--CA 1.489 1.512 0 O-C-N 121.284 -0.885 . . . . 0.0 109.459 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.12 -28.13 68.65 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.821 2.347 . . . . 0.0 112.257 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.1 p -72.46 -2.29 18.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.216 -0.927 . . . . 0.0 109.462 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.6 1.51 66.25 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.06 141.92 41.92 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.265 -1.138 . . . . 0.0 109.452 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.97 142.15 27.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.29 -0.881 . . . . 0.0 109.455 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -126.46 151.64 47.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.232 -0.917 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.776 ' O ' ' CB ' ' A' ' 47' ' ' SER . 29.3 mtm180 -135.67 108.48 7.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.277 -0.889 . . . . 0.0 109.415 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.776 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 22.3 p 98.53 152.29 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.457 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.768 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.9 tttm -56.19 -52.16 75.1 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.256 -0.902 . . . . 0.0 109.555 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.768 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 6.0 Cg_endo -49.2 -31.01 20.68 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.869 2.38 . . . . 0.0 112.332 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.748 ' NE2' HH21 ' A' ' 53' ' ' ARG . 1.3 tp-100 -72.27 -55.91 6.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.212 -0.93 . . . . 0.0 109.514 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.753 ' O ' HD23 ' A' ' 51' ' ' LEU . 5.5 tt -68.41 -41.74 80.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.252 -0.905 . . . . 0.0 109.483 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -48.24 -49.19 34.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.132 -0.98 . . . . 0.0 109.568 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.748 HH21 ' NE2' ' A' ' 50' ' ' GLN . 86.2 mtm180 -59.51 -31.37 69.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.265 -0.897 . . . . 0.0 109.574 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.44 -51.12 68.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.209 -0.932 . . . . 0.0 109.525 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.0 mp -98.29 -57.33 2.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.252 -0.905 . . . . 0.0 109.566 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 93.19 -108.55 3.68 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -91.49 -16.94 26.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -1.155 . . . . 0.0 109.533 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.1 -35.13 33.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.258 -0.901 . . . . 0.0 109.428 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.42 137.13 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.887 . . . . 0.0 109.436 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -97.19 115.09 26.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.288 -0.883 . . . . 0.0 109.425 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.69 10.1 36.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.315 -0.866 . . . . 0.0 109.421 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.9 m -57.6 -42.76 83.89 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.281 -0.887 . . . . 0.0 109.521 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 67.5 m -90.7 13.82 15.1 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.95 . . . . 0.0 109.422 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.439 ' CE2' ' O ' ' A' ' 65' ' ' ASP . 85.9 t80 -104.2 126.24 51.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.196 -0.94 . . . . 0.0 109.456 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.632 ' OD1' ' N ' ' A' ' 70' ' ' LYS . 5.3 p30 -91.71 -164.96 1.25 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -0.907 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 24.6 m-85 -127.59 -45.32 1.49 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.264 -0.898 . . . . 0.0 109.44 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' NH1' ' HG3' ' A' ' 67' ' ' ARG . 4.5 mtm-85 -65.77 -41.43 92.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.505 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 70' ' ' LYS . 77.0 p -107.97 0.74 22.09 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.195 -0.941 . . . . 0.0 109.52 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.582 ' N ' ' OD1' ' A' ' 65' ' ' ASP . . . 39.24 22.78 0.02 OUTLIER Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.632 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 17.9 ttpt -81.92 164.19 21.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.276 -1.132 . . . . 0.0 109.422 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.546 ' SD ' ' HB1' ' A' ' 12' ' ' ALA . 11.5 ttm -120.24 138.57 53.58 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.222 -0.923 . . . . 0.0 109.508 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.4 ttp . . . . . 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 -179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.845 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.462 3.256 1 C4'-C3'-C2' 110.97 7.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.566 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.461 3.146 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.547 ' N7 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.817 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.462 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.48 4.617 1 C4'-C3'-C2' 110.933 7.733 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.422 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.463 2 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.422 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.536 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.006 1 C4'-C3'-C2' 110.984 7.784 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.443 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.733 1 C4'-C3'-C2' 110.952 7.752 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.443 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.512 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.632 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.226 1 C4'-C3'-C2' 110.639 7.439 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.75 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.857 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.484 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.564 1 C4'-C3'-C2' 110.924 7.724 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.52 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.478 4.451 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.52 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.679 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.536 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.66 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.311 1 C4'-C3'-C2' 110.916 7.716 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.547 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.961 2 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.593 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.405 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.494 5.726 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.469 3.749 1 C4'-C3'-C2' 110.599 7.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -94.22 -10.54 32.67 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.273 -0.892 . . . . 0.0 109.41 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.615 ' O ' ' C ' ' A' ' 6' ' ' GLY . 88.9 mt-30 -104.14 1.85 31.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.258 -0.902 . . . . 0.0 109.448 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.615 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 29.84 38.02 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' A' ' 5' ' ' GLN . 34.3 ptt180 -81.34 149.76 28.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.252 -1.146 . . . . 0.0 109.51 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.8 p -141.92 150.69 41.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.224 -0.922 . . . . 0.0 109.469 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -77.73 156.31 30.69 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.198 -0.939 . . . . 0.0 109.438 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 117.48 43.73 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.243 -0.91 . . . . 0.0 109.478 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -70.57 -25.6 24.66 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.832 2.355 . . . . 0.0 112.268 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.68 -10.04 59.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.223 -0.923 . . . . 0.0 109.453 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.63 146.99 41.13 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.263 -0.898 . . . . 0.0 109.458 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.9 Cg_exo -40.34 149.8 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.865 2.377 . . . . 0.0 112.149 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 50.5 Cg_exo -49.37 122.5 8.72 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.823 2.349 . . . . 0.0 112.28 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.77 -30.91 5.16 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -59.8 133.63 56.28 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.275 -1.132 . . . . 0.0 109.424 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -126.43 151.23 48.0 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.229 -0.92 . . . . 0.0 109.44 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.8 ptmm? -142.99 147.97 36.02 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 109.499 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.607 ' OE1' ' N ' ' A' ' 21' ' ' GLU . 5.2 tp10 -141.59 140.82 33.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.275 -0.891 . . . . 0.0 109.403 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.607 ' N ' ' OE1' ' A' ' 20' ' ' GLU . 42.8 tt0 -107.9 127.11 53.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.243 -0.911 . . . . 0.0 109.486 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.91 131.43 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.32 -0.862 . . . . 0.0 109.404 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 81.3 mt -101.53 124.27 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.282 -0.886 . . . . 0.0 109.486 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -53.81 105.46 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.487 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -93.39 -15.83 25.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 0.0 109.46 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.8 t -97.7 131.09 44.56 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.196 -0.94 . . . . 0.0 109.497 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.35 146.0 17.86 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' A' ' 30' ' ' ALA . 11.4 tp -62.85 -15.7 55.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -1.148 . . . . 0.0 109.412 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.1 p -68.45 23.59 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.165 -0.959 . . . . 0.0 109.424 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.585 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -47.38 130.45 13.45 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.248 -0.908 . . . . 0.0 109.529 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.61 -25.86 4.98 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 131.35 38.25 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.28 -1.13 . . . . 0.0 109.398 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 p -140.38 159.42 42.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.24 -0.912 . . . . 0.0 109.536 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.597 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 66.1 t0 -130.71 151.75 50.82 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.303 -0.873 . . . . 0.0 109.421 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.597 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 28.4 t -100.77 128.07 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.216 -0.927 . . . . 0.0 109.497 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -113.61 144.65 42.54 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -123.56 135.24 53.89 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.297 -0.877 . . . . 0.0 109.499 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.76 130.55 56.42 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.301 -0.875 . . . . 0.0 109.508 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.459 ' HG ' ' HE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -83.59 166.39 34.67 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.309 -0.87 . . . . 0.0 109.405 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.56 -34.12 61.29 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.805 2.336 . . . . 0.0 112.233 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -70.33 -29.64 66.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.39 9.97 14.11 Favored Glycine 0 N--CA 1.489 2.22 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HZ2' ' HE1' ' A' ' 45' ' ' PHE . 48.6 tttm -74.3 143.66 44.88 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -1.151 . . . . 0.0 109.513 179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -97.52 141.21 30.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -0.865 . . . . 0.0 109.476 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.645 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 27.8 m-85 -130.66 166.92 19.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.182 -0.949 . . . . 0.0 109.495 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.707 ' O ' ' CB ' ' A' ' 47' ' ' SER . 20.9 mtm180 -143.57 117.92 9.64 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.479 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.707 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.7 t 91.7 161.95 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.224 -0.923 . . . . 0.0 109.456 176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 18.8 tptm -69.13 -43.84 26.1 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.251 -0.906 . . . . 0.0 109.555 -178.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 52.2 Cg_exo -49.77 -38.54 47.09 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.805 2.337 . . . . 0.0 112.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.645 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.8 tm0? -73.85 -49.35 25.46 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.289 -0.882 . . . . 0.0 109.589 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.72 -43.83 95.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.284 -0.885 . . . . 0.0 109.557 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB2' ' HE2' ' A' ' 48' ' ' LYS . . . -55.65 -42.03 74.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.188 -0.945 . . . . 0.0 109.574 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -64.37 -39.08 93.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.238 -0.914 . . . . 0.0 109.598 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.0 -49.01 74.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.474 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.6 mt -69.21 -25.64 64.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 58' ' ' ALA . . . 66.68 -177.45 17.86 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -73.73 37.3 0.09 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -1.153 . . . . 0.0 109.501 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 56' ' ' GLY . . . -87.71 -22.1 24.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.209 -0.932 . . . . 0.0 109.497 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -146.17 151.27 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.466 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 36.1 p-10 -88.44 109.77 20.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.517 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.5 mt -97.63 12.25 34.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.225 -0.922 . . . . 0.0 109.453 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -51.59 -36.8 47.01 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.481 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.511 ' O ' ' O ' ' A' ' 70' ' ' LYS . 80.2 m -83.46 11.61 6.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.263 -0.898 . . . . 0.0 109.449 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.435 ' CD2' ' HA2' ' A' ' 69' ' ' GLY . 29.0 t80 -95.32 113.29 24.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.176 -0.953 . . . . 0.0 109.478 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.628 ' C ' ' HG1' ' A' ' 68' ' ' THR . 0.5 OUTLIER -114.37 71.45 0.76 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.249 -0.907 . . . . 0.0 109.433 -179.13 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' A' ' 67' ' ' ARG . 91.4 m-85 55.51 -152.72 0.35 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.369 -0.832 . . . . 0.0 109.452 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.587 HH21 ' CB ' ' A' ' 21' ' ' GLU . 43.4 ttm-85 -34.51 -35.23 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.17 -0.956 . . . . 0.0 109.445 -177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.628 ' HG1' ' C ' ' A' ' 65' ' ' ASP . 21.7 p -60.09 -43.08 95.78 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 109.467 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.598 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 32.38 84.13 0.01 OUTLIER Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 176.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' O ' ' O ' ' A' ' 63' ' ' CYS . 70.1 mmtt -121.81 158.62 28.47 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.31 -1.112 . . . . 0.0 109.432 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 72' ' ' MET . 13.8 mtp -123.59 128.75 50.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.501 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 71' ' ' MET . 6.2 mmm . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.839 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.611 1 C4'-C3'-C2' 110.94 7.74 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.522 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.895 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.502 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.473 4.095 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.413 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.485 4.975 1 C4'-C3'-C2' 110.889 7.689 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.488 5.204 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.69 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.43 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.486 5.105 1 C4'-C3'-C2' 110.945 7.745 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.43 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.863 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.634 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.504 6.444 1 C4'-C3'-C2' 110.627 7.427 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.771 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.875 1 C4'-C3'-C2' 110.961 7.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.48 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.74 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.48 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.1 1 C4'-C3'-C2' 110.976 7.776 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.471 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.482 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.348 1 C4'-C3'-C2' 110.921 7.721 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.719 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.447 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.769 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.606 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.2 1 C4'-C3'-C2' 110.927 7.727 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.472 3.992 1 C4'-C3'-C2' 110.613 7.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -79.74 138.43 37.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.229 -0.919 . . . . 0.0 109.472 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.544 ' O ' ' C ' ' A' ' 6' ' ' GLY . 99.2 mt-30 -96.99 61.42 1.78 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.241 -0.912 . . . . 0.0 109.486 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 34.64 45.47 0.52 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -88.07 140.45 29.48 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.217 -1.166 . . . . 0.0 109.534 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -141.96 151.69 42.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.912 . . . . 0.0 109.412 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.64 153.41 40.16 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.257 -0.902 . . . . 0.0 109.484 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 92.7 m -106.27 117.43 57.32 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.208 -0.933 . . . . 0.0 109.45 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.42 -29.12 9.64 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.777 2.318 . . . . 0.0 112.238 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.625 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -84.07 -6.04 59.34 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.211 -0.93 . . . . 0.0 109.455 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 51' ' ' LEU . 10.0 mp -121.18 149.3 51.32 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.205 -0.934 . . . . 0.0 109.49 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -40.3 146.08 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.827 2.351 . . . . 0.0 112.167 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.09 124.62 11.86 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.863 2.375 . . . . 0.0 112.25 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.98 -32.36 4.61 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.535 ' CZ3' HD13 ' A' ' 51' ' ' LEU . 30.8 m95 -60.17 135.67 57.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.268 -1.137 . . . . 0.0 109.45 -179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -128.57 154.17 46.46 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.328 -0.858 . . . . 0.0 109.401 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -144.96 150.6 37.23 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.222 -0.923 . . . . 0.0 109.487 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -126.62 155.46 42.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.249 -0.907 . . . . 0.0 109.414 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -126.29 114.39 18.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.275 -0.891 . . . . 0.0 109.476 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -112.54 131.08 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.25 -0.906 . . . . 0.0 109.398 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.0 mt -102.9 135.92 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.898 . . . . 0.0 109.496 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.638 HH11 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -47.93 105.79 0.08 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.336 -0.852 . . . . 0.0 109.49 -179.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -86.72 -16.96 34.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.203 -0.935 . . . . 0.0 109.415 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.2 m -108.56 134.08 51.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.244 -0.91 . . . . 0.0 109.48 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 138.99 8.45 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.684 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.9 tp -70.08 -34.07 72.7 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.237 -1.155 . . . . 0.0 109.407 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 30' ' ' ALA . 50.8 m -61.97 25.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.287 -0.883 . . . . 0.0 109.476 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.684 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.39 153.08 0.05 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 109.503 -178.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.21 -21.68 5.45 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -87.04 133.28 33.61 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -1.117 . . . . 0.0 109.512 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 97.6 p -138.73 158.95 43.27 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 109.495 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 55.6 t0 -127.79 146.88 50.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.333 -0.855 . . . . 0.0 109.463 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 60.9 t -113.55 133.32 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.194 -0.941 . . . . 0.0 109.475 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -115.59 147.29 40.93 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.195 -0.941 . . . . 0.0 109.474 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -124.4 138.42 54.36 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 109.533 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -113.31 130.04 56.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.406 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -86.22 164.62 37.71 Favored Pre-proline 0 N--CA 1.489 1.484 0 O-C-N 121.3 -0.875 . . . . 0.0 109.451 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.65 -26.74 80.57 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.842 2.361 . . . . 0.0 112.206 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.7 p -72.91 -26.92 61.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.907 . . . . 0.0 109.491 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.07 1.19 26.86 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -72.38 141.35 48.74 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.217 -1.167 . . . . 0.0 109.523 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -98.67 141.09 31.92 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CD1' ' OE1' ' A' ' 50' ' ' GLN . 36.6 m-85 -132.29 167.46 19.81 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.171 -0.956 . . . . 0.0 109.483 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.711 ' O ' ' CB ' ' A' ' 47' ' ' SER . 53.4 mtm180 -145.34 120.95 10.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.282 -0.886 . . . . 0.0 109.451 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.711 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 92.44 154.66 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.484 177.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -66.32 -41.37 41.72 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.203 -0.935 . . . . 0.0 109.489 -177.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 50.5 Cg_exo -52.08 -33.6 54.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.765 2.31 . . . . 0.0 112.324 179.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.624 ' OE1' ' CD1' ' A' ' 45' ' ' PHE . 1.2 tm0? -77.53 -47.17 20.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD21 HD21 ' A' ' 13' ' ' LEU . 28.7 tp -64.67 -43.72 92.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.255 -0.903 . . . . 0.0 109.531 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.01 -44.64 74.75 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -63.02 -37.2 86.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.278 -0.889 . . . . 0.0 109.665 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -63.92 -48.05 78.11 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.282 -0.886 . . . . 0.0 109.548 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 61' ' ' LEU . 95.4 mt -67.7 -26.44 66.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 -132.2 26.95 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -106.64 35.0 3.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.244 -1.15 . . . . 0.0 109.424 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.8 -21.94 15.0 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.153 -0.967 . . . . 0.0 109.453 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.17 147.61 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.918 . . . . 0.0 109.41 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -105.65 120.35 41.44 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.232 -0.918 . . . . 0.0 109.452 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 55' ' ' LEU . 96.0 mt -102.35 16.59 25.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.6 t -61.55 -44.04 97.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.465 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.08 -31.42 62.82 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.275 -0.891 . . . . 0.0 109.483 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -72.81 120.17 18.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.234 -0.916 . . . . 0.0 109.486 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 69' ' ' GLY . 54.2 t0 -98.33 109.75 22.46 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.233 -0.917 . . . . 0.0 109.551 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 29.6 p90 -64.81 -44.42 89.96 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.2 -0.938 . . . . 0.0 109.469 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 6.8 tpm_? -46.95 -42.24 17.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 -179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -109.33 -5.44 15.86 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.257 -0.902 . . . . 0.0 109.414 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 58.28 31.2 65.56 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -115.66 158.44 22.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.242 -1.152 . . . . 0.0 109.537 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 ttt -120.6 131.82 54.83 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.284 -0.885 . . . . 0.0 109.498 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 80.1 mtp . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.507 -179.726 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.837 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.82 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.644 ' N7 ' " H2'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.462 3.211 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.523 ' N7 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.645 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.44 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.485 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.423 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.491 5.431 2 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.426 H5A3 HH21 ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.77 1 C4'-C3'-C2' 110.888 7.688 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.416 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.755 1 C4'-C3'-C2' 110.924 7.724 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.416 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.482 4.754 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.608 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.502 6.317 1 C4'-C3'-C2' 110.563 7.363 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.718 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.498 6.024 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.473 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.475 4.246 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.516 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.483 4.83 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.516 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.526 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.405 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.478 4.482 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.974 1 C4'-C3'-C2' 110.913 7.713 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.512 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.499 6.08 2 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.537 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.084 1 C4'-C3'-C2' 110.97 7.77 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.469 3.806 1 C4'-C3'-C2' 110.595 7.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 5' ' ' GLN . 54.7 p-10 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.277 0.561 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -68.91 62.68 0.11 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.448 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' O ' ' C ' ' A' ' 6' ' ' GLY . 2.5 pt20 -163.46 -16.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.478 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.577 ' C ' ' O ' ' A' ' 5' ' ' GLN . . . 31.43 -102.31 0.01 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.653 ' NH2' ' N ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -75.16 169.2 18.5 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -1.15 . . . . 0.0 109.504 -178.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' HH21 ' A' ' 7' ' ' ARG . 81.7 p -137.88 149.88 46.63 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.238 -0.914 . . . . 0.0 109.413 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.653 ' N ' ' NH2' ' A' ' 7' ' ' ARG . 22.2 t70 -71.44 146.03 48.9 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.192 -0.942 . . . . 0.0 109.437 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.3 t -121.84 116.97 30.02 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.429 179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -70.26 -18.17 34.85 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.831 2.354 . . . . 0.0 112.262 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.567 ' CB ' ' CD1' ' A' ' 64' ' ' PHE . . . -77.18 -18.88 57.44 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.255 -0.903 . . . . 0.0 109.564 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD23 ' CD2' ' A' ' 17' ' ' TRP . 5.3 mp -117.59 148.78 43.68 Favored Pre-proline 0 N--CA 1.491 1.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.43 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -41.74 153.91 0.1 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.786 2.324 . . . . 0.0 112.224 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -54.23 129.59 35.33 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.8 2.333 . . . . 0.0 112.215 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.02 -31.54 6.46 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.544 ' CD2' HD23 ' A' ' 13' ' ' LEU . 40.0 m95 -56.56 135.97 54.51 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.235 -1.156 . . . . 0.0 109.419 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HG2' HH11 ' A' ' 7' ' ' ARG . 52.9 mtmt -115.33 144.05 44.36 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.403 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE3' HG11 ' A' ' 35' ' ' VAL . 68.5 tttt -126.92 136.32 52.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 109.496 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -131.76 143.89 50.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.307 -0.871 . . . . 0.0 109.389 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 21' ' ' GLU . 8.4 tm-20 -126.84 124.21 39.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.225 -0.922 . . . . 0.0 109.528 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 50.4 t -120.05 133.69 65.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.324 -0.86 . . . . 0.0 109.404 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 92.4 mt -100.47 136.56 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.243 -0.911 . . . . 0.0 109.446 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.604 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 15.2 mtt-85 -48.83 113.04 0.7 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 109.46 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -74.83 -2.42 26.66 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.26 -0.9 . . . . 0.0 109.503 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.727 ' O ' ' C ' ' A' ' 27' ' ' GLY . 4.2 p -81.22 -162.45 0.5 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.191 -0.943 . . . . 0.0 109.481 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.727 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -20.36 138.39 0.01 OUTLIER Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' C ' ' H ' ' A' ' 30' ' ' ALA . 60.2 tp -64.14 -39.37 93.88 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.241 -1.152 . . . . 0.0 109.448 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.5 m -59.66 6.37 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 109.484 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 24' ' ' ARG . . . -49.18 -75.23 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.295 -0.878 . . . . 0.0 109.45 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.4 -11.84 2.08 Favored Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.514 -1.435 . . . . 0.0 109.514 178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 30' ' ' ALA . 10.6 mmmt -85.78 129.13 34.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.284 -1.127 . . . . 0.0 109.442 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 65.8 m -127.51 150.92 49.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.177 -0.952 . . . . 0.0 109.547 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -120.4 139.39 52.88 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.28 -0.887 . . . . 0.0 109.423 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 ' HE3' ' A' ' 19' ' ' LYS . 35.4 t -112.43 132.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.263 -0.898 . . . . 0.0 109.488 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -115.23 139.83 49.61 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.237 -0.915 . . . . 0.0 109.495 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.642 ' CD1' ' CE2' ' A' ' 66' ' ' PHE . 81.2 m-85 -120.91 135.32 55.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.272 -0.892 . . . . 0.0 109.498 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -116.68 133.3 56.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.216 -0.927 . . . . 0.0 109.482 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.526 ' HB2' ' CZ2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -105.7 166.05 12.01 Favored Pre-proline 0 N--CA 1.491 1.587 0 O-C-N 121.278 -0.888 . . . . 0.0 109.424 179.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 19.2 Cg_endo -57.93 -18.22 34.18 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.852 2.368 . . . . 0.0 112.197 178.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 81.9 p -76.79 -16.29 59.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.428 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.74 -3.25 77.87 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -74.04 137.67 43.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.206 -1.173 . . . . 0.0 109.543 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -93.97 138.38 32.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.328 -0.857 . . . . 0.0 109.454 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 45.6 m-85 -121.31 130.35 53.6 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.296 -0.877 . . . . 0.0 109.472 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -107.73 -3.09 19.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.264 -0.898 . . . . 0.0 109.391 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.0 t -152.17 152.36 32.17 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.286 -0.884 . . . . 0.0 109.459 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.797 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 17.9 ttpp -57.44 -50.79 86.14 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.367 -0.833 . . . . 0.0 109.536 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.797 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 4.6 Cg_endo -46.44 -31.09 9.21 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.917 2.411 . . . . 0.0 112.264 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -72.04 -52.6 16.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.518 178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD13 ' HH2' ' A' ' 17' ' ' TRP . 24.4 tp -65.78 -45.45 82.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.275 -0.891 . . . . 0.0 109.573 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.5 -47.12 39.02 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.561 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.639 ' HG2' HH11 ' A' ' 53' ' ' ARG . 32.6 mtt-85 -63.62 -37.37 87.09 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.645 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -63.5 -51.99 63.21 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.906 . . . . 0.0 109.494 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.9 mt -66.11 -28.27 68.68 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 -146.31 40.33 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -93.05 40.51 1.06 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -1.136 . . . . 0.0 109.493 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.53 -19.69 13.59 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.271 -0.893 . . . . 0.0 109.477 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 51.4 t -142.27 143.69 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.291 -0.881 . . . . 0.0 109.404 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 38.3 p-10 -103.45 119.07 38.17 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.528 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.88 15.72 26.22 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.273 -0.892 . . . . 0.0 109.458 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.5 m -61.71 -43.59 98.56 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.279 -0.888 . . . . 0.0 109.49 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 75.9 m -71.21 -29.3 64.98 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.241 -0.912 . . . . 0.0 109.499 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 60.9 t80 -87.31 122.65 31.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.176 -0.953 . . . . 0.0 109.477 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 69' ' ' GLY . 90.3 m-20 -104.94 131.26 52.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.216 -0.927 . . . . 0.0 109.468 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.642 ' CE2' ' CD1' ' A' ' 37' ' ' TYR . 3.5 m-85 -69.5 -40.28 77.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.19 -0.944 . . . . 0.0 109.459 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -53.81 -44.19 69.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.257 -0.902 . . . . 0.0 109.473 -179.361 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.1 p -101.08 -18.31 16.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.438 179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 65' ' ' ASP . . . 59.9 37.55 92.76 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -133.09 161.36 34.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.3 -1.118 . . . . 0.0 109.511 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.6 ttm -114.41 132.77 56.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 ptt? . . . . . 0 N--CA 1.491 1.598 0 O-C-N 121.219 -0.926 . . . . 0.0 109.449 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.721 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.495 5.778 1 C4'-C3'-C2' 111.0 7.8 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.507 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.473 4.072 1 C4'-C3'-C2' 110.926 7.726 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.508 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.474 4.176 1 C4'-C3'-C2' 110.931 7.731 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.432 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.481 4.695 1 C4'-C3'-C2' 110.916 7.716 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.965 1 C4'-C3'-C2' 110.922 7.722 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.735 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.448 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.782 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.448 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.607 1 C4'-C3'-C2' 110.883 7.683 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.644 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.501 6.246 1 C4'-C3'-C2' 110.635 7.435 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.815 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.5 6.152 1 C4'-C3'-C2' 110.96 7.76 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.475 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.64 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.486 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.787 1 C4'-C3'-C2' 110.943 7.743 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.486 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.371 1 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.409 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.51 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.48 4.65 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.508 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 5.986 1 C4'-C3'-C2' 110.902 7.702 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.611 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.414 1 C4'-C3'-C2' 111.032 7.832 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.465 3.443 1 C4'-C3'-C2' 110.605 7.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.78 -7.74 56.91 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.31 -0.869 . . . . 0.0 109.511 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' CG ' ' OE2' ' A' ' 20' ' ' GLU . 17.7 tt0 -166.22 -146.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.194 -0.941 . . . . 0.0 109.455 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.46 79.48 0.03 OUTLIER Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.656 HH11 ' HG2' ' A' ' 7' ' ' ARG . 1.2 ptt-85 -82.55 158.71 23.01 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.216 -1.167 . . . . 0.0 109.537 178.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -141.67 151.88 43.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.174 -0.954 . . . . 0.0 109.429 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.526 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 38.7 t70 -75.69 158.0 32.9 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.232 -0.917 . . . . 0.0 109.487 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 68.7 m -106.2 116.9 58.64 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.185 -0.947 . . . . 0.0 109.456 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -74.23 -31.22 7.79 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.83 2.353 . . . . 0.0 112.255 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.691 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -80.54 -7.75 59.33 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.279 -0.888 . . . . 0.0 109.546 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 51' ' ' LEU . 10.9 mp -117.67 153.72 50.69 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.42 -179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -41.65 156.71 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.864 2.376 . . . . 0.0 112.177 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.11 120.77 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.769 2.313 . . . . 0.0 112.193 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.62 -28.69 5.65 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.467 ' CH2' ' CB ' ' A' ' 39' ' ' SER . 47.0 m95 -60.76 135.74 57.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.235 -1.156 . . . . 0.0 109.465 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -127.41 152.52 47.42 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.231 -0.918 . . . . 0.0 109.483 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' A' ' 9' ' ' ASP . 25.6 pttm -136.73 145.41 44.63 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.231 -0.918 . . . . 0.0 109.469 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.422 ' OE2' ' CG ' ' A' ' 5' ' ' GLN . 84.6 tt0 -124.72 153.79 41.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -0.911 . . . . 0.0 109.428 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -127.12 114.25 17.47 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.243 -0.911 . . . . 0.0 109.53 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.8 t -107.85 130.12 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.294 -0.879 . . . . 0.0 109.525 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.2 mt -99.0 120.56 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.32 105.14 0.26 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.355 -0.841 . . . . 0.0 109.453 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -100.09 -8.28 23.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.357 -0.84 . . . . 0.0 109.52 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.7 t -89.52 129.57 35.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.315 -0.866 . . . . 0.0 109.532 -177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.62 154.37 26.08 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 178.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.842 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.1 tm? -64.07 -38.9 92.75 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -1.164 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 p -61.74 24.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.272 -0.892 . . . . 0.0 109.465 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -52.06 142.46 16.06 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.83 -23.61 4.98 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.653 ' NZ ' ' H41' ' C' ' 114' ' ' ' DC' . 88.1 tttt -76.06 137.71 40.37 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -1.153 . . . . 0.0 109.449 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.601 ' CB ' HH22 ' A' ' 67' ' ' ARG . 61.2 p -135.36 156.29 49.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.261 -0.899 . . . . 0.0 109.465 -176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -130.76 152.22 50.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.331 -0.856 . . . . 0.0 109.434 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.3 t -111.89 131.72 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.277 -0.889 . . . . 0.0 109.543 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -115.27 150.35 36.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.232 -0.917 . . . . 0.0 109.412 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -125.38 139.37 53.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.271 -0.893 . . . . 0.0 109.423 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -122.17 136.87 54.97 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.261 -0.9 . . . . 0.0 109.535 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.467 ' CB ' ' CH2' ' A' ' 17' ' ' TRP . 1.3 p -104.31 171.48 5.0 Favored Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.189 -0.944 . . . . 0.0 109.444 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.55 -23.35 64.42 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.792 2.328 . . . . 0.0 112.233 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.2 p -73.08 -2.08 19.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.248 -0.908 . . . . 0.0 109.538 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.56 0.42 54.02 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 32.9 ttpt -73.88 142.72 46.02 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.287 -1.125 . . . . 0.0 109.551 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -91.05 138.59 31.49 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.423 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 57.0 m-85 -123.54 154.02 39.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.945 . . . . 0.0 109.501 179.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.724 ' O ' ' CB ' ' A' ' 47' ' ' SER . 61.9 mtm180 -139.36 113.3 8.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.273 -0.892 . . . . 0.0 109.483 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.724 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 6.0 p 93.36 154.14 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.269 -0.894 . . . . 0.0 109.461 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 26.2 tttt -61.74 -43.56 88.17 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.271 -0.893 . . . . 0.0 109.443 -178.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 53.3 Cg_exo -48.53 -38.56 35.86 Favored 'Trans proline' 0 C--N 1.304 -1.799 0 C-N-CA 122.893 2.396 . . . . 0.0 112.275 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.629 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 34.8 tp60 -72.4 -51.31 20.98 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.241 -0.912 . . . . 0.0 109.545 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 13' ' ' LEU . 41.5 tp -63.94 -43.24 96.44 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.264 -0.897 . . . . 0.0 109.497 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.27 -48.86 65.05 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.184 -0.947 . . . . 0.0 109.609 -179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.629 ' NH2' ' NE2' ' A' ' 50' ' ' GLN . 48.8 mtm-85 -62.26 -36.52 82.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.316 -0.865 . . . . 0.0 109.586 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -64.76 -51.41 62.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.227 -0.921 . . . . 0.0 109.527 -179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 61' ' ' LEU . 1.5 mp -63.85 -26.13 68.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.183 -0.948 . . . . 0.0 109.528 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.08 -137.09 35.54 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -107.27 35.59 3.0 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.249 -1.148 . . . . 0.0 109.501 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.63 -22.23 18.9 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' HB ' HD23 ' A' ' 55' ' ' LEU . 41.3 t -146.92 152.96 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.228 -0.92 . . . . 0.0 109.45 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -99.76 116.43 31.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 109.502 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 55' ' ' LEU . 95.7 mt -96.39 12.29 31.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.188 -0.945 . . . . 0.0 109.432 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.1 m -60.07 -43.08 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.248 -0.908 . . . . 0.0 109.471 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 55.8 m -84.32 13.64 5.16 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.212 -0.93 . . . . 0.0 109.51 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -112.13 125.15 53.81 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.228 -0.92 . . . . 0.0 109.5 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -80.39 -172.28 3.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.357 -0.839 . . . . 0.0 109.427 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CZ ' ' HA ' ' A' ' 47' ' ' SER . 61.5 t80 -132.01 -56.12 0.98 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.524 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.638 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -59.85 -44.76 93.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.438 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.544 ' O ' ' C ' ' A' ' 69' ' ' GLY . 24.5 p -101.76 1.09 36.91 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.287 -0.883 . . . . 0.0 109.479 -179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 35.33 78.25 0.04 OUTLIER Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -145.65 167.78 22.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.349 -1.089 . . . . 0.0 109.536 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.4 mmt -111.02 134.95 52.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.256 -0.903 . . . . 0.0 109.494 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 ttt . . . . . 0 N--CA 1.489 1.512 0 O-C-N 121.229 -0.92 . . . . 0.0 109.437 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.846 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.616 1 C4'-C3'-C2' 110.937 7.737 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.645 ' N7 ' " H2'" ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.463 3.284 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.538 ' N7 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.927 1 C4'-C3'-C2' 110.892 7.692 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.412 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.486 5.092 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.492 5.565 1 C4'-C3'-C2' 110.982 7.782 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 4.975 1 C4'-C3'-C2' 110.942 7.742 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.417 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.637 1 C4'-C3'-C2' 110.95 7.75 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.417 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.882 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.626 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . 0.409 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.498 6.022 1 C4'-C3'-C2' 110.585 7.385 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.76 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.819 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.47 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.605 1 C4'-C3'-C2' 110.89 7.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.513 ' C8 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.484 4.944 1 C4'-C3'-C2' 110.895 7.695 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.653 ' H41' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.482 4.779 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.479 4.511 1 C4'-C3'-C2' 110.98 7.78 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.957 1 C4'-C3'-C2' 110.949 7.749 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.518 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.954 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.618 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.156 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.467 3.634 1 C4'-C3'-C2' 110.594 7.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 5' ' ' GLN . 99.5 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 48.45 19.19 0.21 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.14 -0.975 . . . . 0.0 109.462 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 3' ' ' ASP . 24.6 pt20 -95.39 50.5 1.25 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.313 -0.867 . . . . 0.0 109.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -81.69 155.51 35.51 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -76.32 168.39 20.15 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.285 -1.127 . . . . 0.0 109.507 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.1 p -141.11 150.24 42.6 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.883 . . . . 0.0 109.449 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -82.64 154.09 25.08 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.436 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 131.16 21.94 Favored Pre-proline 0 N--CA 1.49 1.536 0 O-C-N 121.305 -0.872 . . . . 0.0 109.428 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -72.71 -24.53 18.21 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.86 2.374 . . . . 0.0 112.222 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.08 -41.52 11.63 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.258 -0.901 . . . . 0.0 109.475 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.678 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.9 mm? -73.13 143.42 83.58 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.231 -0.918 . . . . 0.0 109.39 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -41.46 152.32 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.721 2.281 . . . . 0.0 112.194 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -50.53 123.25 11.0 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.86 2.374 . . . . 0.0 112.198 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.82 -30.7 6.71 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.597 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 21.6 m95 -60.67 136.62 58.12 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.195 -1.18 . . . . 0.0 109.462 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.58 152.09 42.25 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -135.2 144.16 46.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.476 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -132.02 148.94 52.53 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.257 -0.902 . . . . 0.0 109.443 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -126.9 122.83 35.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.532 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.2 t -113.34 130.83 66.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.291 -0.881 . . . . 0.0 109.427 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 89.4 mt -101.09 132.14 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.205 -0.934 . . . . 0.0 109.45 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.04 106.93 0.22 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.262 -0.899 . . . . 0.0 109.536 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -91.61 -12.37 34.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.276 -0.89 . . . . 0.0 109.427 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 t -102.32 131.53 48.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.255 -0.903 . . . . 0.0 109.43 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.71 143.04 11.02 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.689 ' C ' ' H ' ' A' ' 30' ' ' ALA . 52.3 tp -70.26 -33.19 71.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -1.114 . . . . 0.0 109.487 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.468 ' O ' ' C ' ' A' ' 30' ' ' ALA . 5.8 t -61.81 25.19 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.237 -0.914 . . . . 0.0 109.443 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.689 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.42 149.65 0.11 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.302 -0.874 . . . . 0.0 109.5 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.12 -21.2 5.54 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.66 ' NZ ' ' N4 ' ' C' ' 114' ' ' ' DC' . 54.0 tttt -80.67 125.84 30.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.268 -1.136 . . . . 0.0 109.492 178.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.5 m -132.1 154.69 49.21 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.231 -0.918 . . . . 0.0 109.524 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -126.86 147.17 50.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.894 . . . . 0.0 109.466 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 t -105.9 130.18 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.261 -0.899 . . . . 0.0 109.566 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -115.55 140.55 49.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.336 -0.853 . . . . 0.0 109.394 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -123.45 139.07 54.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.231 -0.918 . . . . 0.0 109.492 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -114.39 131.05 56.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.473 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.597 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -99.67 165.54 14.49 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 121.286 -0.884 . . . . 0.0 109.45 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.06 -19.6 49.56 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.807 2.338 . . . . 0.0 112.227 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.8 -5.18 54.86 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.217 -0.927 . . . . 0.0 109.459 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.38 0.04 88.44 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.574 -1.411 . . . . 0.0 109.574 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -80.39 138.51 36.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.253 -1.145 . . . . 0.0 109.49 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -99.58 147.1 25.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.214 -0.929 . . . . 0.0 109.419 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -122.58 156.37 34.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.549 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 64.2 mtm180 -132.63 109.35 9.67 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.272 -0.892 . . . . 0.0 109.431 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 9.1 p 91.35 158.79 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.937 . . . . 0.0 109.449 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 4.7 ttmt -62.32 -44.85 89.46 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.175 -0.953 . . . . 0.0 109.484 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.0 Cg_exo -48.43 -35.38 28.07 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.896 2.397 . . . . 0.0 112.262 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -78.46 -51.12 10.47 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.242 -0.911 . . . . 0.0 109.573 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.2 -43.33 95.38 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.557 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.19 -45.87 75.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.229 -0.919 . . . . 0.0 109.532 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -60.49 -33.55 72.76 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.206 -0.934 . . . . 0.0 109.556 -179.595 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -64.43 -51.63 62.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.2 mt -73.09 -34.18 66.05 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.591 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.78 -171.02 54.54 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 59' ' ' VAL . 5.5 m120 -63.15 -22.57 66.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.276 -1.132 . . . . 0.0 109.436 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -42.3 -22.34 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.877 . . . . 0.0 109.494 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.0 t -140.32 140.08 35.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.294 -0.879 . . . . 0.0 109.451 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -102.07 117.51 34.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.248 -0.908 . . . . 0.0 109.485 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.56 16.56 21.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.304 -0.873 . . . . 0.0 109.44 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -58.56 -44.02 89.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.175 -0.953 . . . . 0.0 109.49 -179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 70.2 m -86.19 11.35 12.17 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.214 -0.928 . . . . 0.0 109.5 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -113.28 113.28 25.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.23 -0.919 . . . . 0.0 109.449 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -100.89 108.21 19.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.269 -0.895 . . . . 0.0 109.447 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.679 ' CZ ' ' NH1' ' A' ' 67' ' ' ARG . 8.2 p90 -61.91 -34.56 76.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.3 -0.875 . . . . 0.0 109.401 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.785 HH11 ' HG2' ' A' ' 67' ' ' ARG . 1.7 mmt-85 -35.4 -47.81 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.173 -0.954 . . . . 0.0 109.511 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 45.2 p -124.38 12.3 8.76 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.24 -0.912 . . . . 0.0 109.495 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.95 41.71 52.71 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -111.36 152.64 27.06 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.236 -1.155 . . . . 0.0 109.433 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 7.5 ttm -120.76 130.51 54.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.486 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.908 . . . . 0.0 109.489 -179.801 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.691 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.928 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.447 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.474 1 C4'-C3'-C2' 110.86 7.66 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.541 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.427 1 C4'-C3'-C2' 110.899 7.699 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.408 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.485 5.013 1 C4'-C3'-C2' 110.89 7.69 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.408 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.497 5.894 2 C4'-C3'-C2' 110.908 7.708 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.408 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.407 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.927 1 C4'-C3'-C2' 110.902 7.702 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.4 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.488 5.194 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.4 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.481 1 C4'-C3'-C2' 110.897 7.697 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.61 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.964 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.876 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 5.035 1 C4'-C3'-C2' 110.964 7.764 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.503 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.472 4.007 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.503 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.47 1 C4'-C3'-C2' 110.975 7.775 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.66 ' N4 ' ' NZ ' ' A' ' 32' ' ' LYS . . . . . . . . 1 O4'--C1' 1.478 4.448 1 C4'-C3'-C2' 110.996 7.796 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.407 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.679 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.487 5.19 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.541 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.497 5.92 2 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.613 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.692 1 C4'-C3'-C2' 110.958 7.758 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.419 1 C4'-C3'-C2' 110.6 7.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -63.03 -39.45 94.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HG2' ' H ' ' A' ' 6' ' ' GLY . 35.3 tt0 -92.09 176.62 6.43 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.255 -0.903 . . . . 0.0 109.502 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.501 ' H ' ' HG2' ' A' ' 5' ' ' GLN . . . 108.5 147.37 12.63 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.744 HH11 ' CG ' ' A' ' 7' ' ' ARG . 0.2 OUTLIER -81.91 164.61 21.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.295 -1.121 . . . . 0.0 109.552 179.499 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.3 p -137.21 147.6 45.94 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.209 -0.932 . . . . 0.0 109.449 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -64.41 153.32 38.99 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -0.919 . . . . 0.0 109.557 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -69.89 129.52 90.93 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.317 -0.864 . . . . 0.0 109.467 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -76.64 -49.97 0.11 Allowed 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.796 2.331 . . . . 0.0 112.244 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.73 -28.45 8.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -0.929 . . . . 0.0 109.477 -178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.15 148.66 95.99 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.441 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 51.4 Cg_exo -41.2 147.3 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.84 2.36 . . . . 0.0 112.164 -178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 53.2 Cg_exo -52.44 127.32 23.64 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.814 2.343 . . . . 0.0 112.219 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.46 -35.23 3.81 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 39' ' ' SER . 71.7 m95 -62.52 138.9 58.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.265 -1.138 . . . . 0.0 109.414 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HD3' ' HE ' ' A' ' 7' ' ' ARG . 99.5 mttt -124.25 148.88 47.04 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.908 . . . . 0.0 109.432 -178.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -118.58 134.19 55.29 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.226 -0.921 . . . . 0.0 109.454 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -127.18 148.95 50.17 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.272 -0.893 . . . . 0.0 109.477 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -130.22 118.46 21.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.207 -0.933 . . . . 0.0 109.476 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.9 t -115.18 133.44 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.48 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -100.78 129.46 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.102 -0.999 . . . . 0.0 109.476 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -55.53 114.35 1.81 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.472 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -93.49 -16.76 24.16 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.279 -0.888 . . . . 0.0 109.511 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 t -102.55 130.9 49.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.466 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.9 141.84 9.98 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 30' ' ' ALA . 14.1 tp -61.12 -15.77 36.9 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.188 -1.184 . . . . 0.0 109.48 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 m -72.43 23.21 0.06 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.233 -0.917 . . . . 0.0 109.501 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -46.6 129.91 11.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.19 -0.944 . . . . 0.0 109.403 179.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.48 -23.89 5.04 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 -179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -76.17 134.29 39.96 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.248 -1.148 . . . . 0.0 109.439 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.549 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 15.3 t -133.45 154.8 50.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.263 -0.898 . . . . 0.0 109.495 -177.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -126.89 146.97 50.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.216 -0.927 . . . . 0.0 109.412 178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.503 ' CG2' ' NH2' ' A' ' 67' ' ' ARG . 2.6 t -108.12 129.39 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.24 -0.913 . . . . 0.0 109.508 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -114.68 148.04 38.77 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.329 -0.857 . . . . 0.0 109.431 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -117.44 130.11 56.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.189 -0.945 . . . . 0.0 109.468 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -118.39 133.31 55.98 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.455 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.418 ' HB3' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -107.75 171.57 4.49 Favored Pre-proline 0 N--CA 1.49 1.527 0 O-C-N 121.235 -0.916 . . . . 0.0 109.497 -179.523 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.59 -20.21 8.69 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.314 . . . . 0.0 112.23 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.1 p -78.54 -0.88 31.38 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.276 -0.89 . . . . 0.0 109.477 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.29 3.12 36.95 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -75.8 144.83 41.13 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -1.187 . . . . 0.0 109.557 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -92.54 140.02 29.98 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.221 -0.925 . . . . 0.0 109.418 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -125.67 146.52 49.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.233 -0.917 . . . . 0.0 109.532 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 47' ' ' SER . 4.8 ptm180 -149.24 68.59 1.04 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.281 -0.887 . . . . 0.0 109.417 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.588 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 157.61 118.08 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.247 -0.908 . . . . 0.0 109.479 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.637 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 24.3 ttpt -51.1 -43.06 84.02 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.251 -0.906 . . . . 0.0 109.553 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 32.5 Cg_exo -57.68 -30.15 87.9 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.867 2.378 . . . . 0.0 112.314 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -74.37 -53.96 8.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.299 -0.876 . . . . 0.0 109.569 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 51' ' ' LEU . 2.3 tt -62.66 -44.37 96.43 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.33 -43.99 61.89 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.233 -0.917 . . . . 0.0 109.567 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.93 -34.11 77.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.275 -0.891 . . . . 0.0 109.581 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -63.54 -51.93 63.31 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.232 -0.918 . . . . 0.0 109.57 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 55' ' ' LEU . 95.8 mt -66.63 -21.7 66.12 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 109.606 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.4 -132.73 35.65 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -105.07 33.33 3.7 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.255 -1.144 . . . . 0.0 109.463 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.17 -23.75 16.05 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.481 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 t -144.3 147.33 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.257 -0.902 . . . . 0.0 109.487 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' C ' HD12 ' A' ' 61' ' ' LEU . 97.5 m-20 -98.67 115.91 29.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.904 . . . . 0.0 109.485 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.3 mp -105.0 12.6 32.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.323 -0.861 . . . . 0.0 109.451 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.7 m -63.5 -43.89 95.92 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.318 -0.864 . . . . 0.0 109.433 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 72' ' ' MET . 90.1 m -69.17 -33.99 74.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.204 -0.935 . . . . 0.0 109.432 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -70.57 125.83 27.91 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.238 -0.914 . . . . 0.0 109.494 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -79.01 -159.49 0.19 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.855 . . . . 0.0 109.457 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -135.14 -53.68 0.79 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.198 -0.939 . . . . 0.0 109.445 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.549 ' NH1' ' O ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -68.89 -39.16 79.91 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.323 -0.861 . . . . 0.0 109.488 179.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.4 p -97.74 -12.48 22.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.96 44.55 32.13 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -117.5 157.54 26.11 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -1.129 . . . . 0.0 109.415 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.5 tpt -80.25 148.28 30.85 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.286 -0.884 . . . . 0.0 109.476 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.431 ' H ' ' HB3' ' A' ' 63' ' ' CYS . 97.0 mtp . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.653 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.838 1 C4'-C3'-C2' 110.977 7.777 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.416 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.486 5.071 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.478 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.484 4.901 1 C4'-C3'-C2' 110.883 7.683 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.089 1 C4'-C3'-C2' 110.912 7.712 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.994 1 C4'-C3'-C2' 110.956 7.756 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.49 5.365 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.403 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.492 5.567 1 C4'-C3'-C2' 110.947 7.747 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.123 1 C4'-C3'-C2' 110.961 7.761 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.65 ' CY7' ' CY6' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.507 6.727 1 C4'-C3'-C2' 110.606 7.406 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.658 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.497 5.96 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.438 ' C8 ' H2'' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.942 1 C4'-C3'-C2' 110.975 7.775 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.421 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.495 5.8 1 C4'-C3'-C2' 110.886 7.686 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.49 5.379 1 C4'-C3'-C2' 110.882 7.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.476 ' OP1' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.923 1 C4'-C3'-C2' 110.852 7.652 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.494 5.664 1 C4'-C3'-C2' 110.935 7.735 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.478 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.498 6.019 2 C4'-C3'-C2' 110.944 7.744 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.599 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 6.004 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.468 3.71 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.316 0.579 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 5' ' ' GLN . 98.7 mttt -74.11 137.63 43.39 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.179 -0.951 . . . . 0.0 109.513 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 4' ' ' LYS . 94.0 mt-30 42.32 -112.22 0.19 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.205 -0.934 . . . . 0.0 109.542 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.16 47.58 0.35 Allowed Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' NH1' ' HD3' ' A' ' 18' ' ' LYS . 15.9 ttp180 -86.6 136.77 32.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.268 -1.136 . . . . 0.0 109.509 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 48.4 p -141.93 152.2 43.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.236 -0.915 . . . . 0.0 109.406 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 53.5 p30 -75.99 157.68 32.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.215 -0.928 . . . . 0.0 109.442 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' HD13 ' A' ' 13' ' ' LEU . 4.3 t -114.4 116.95 43.62 Favored Pre-proline 0 N--CA 1.489 1.501 0 O-C-N 121.178 -0.951 . . . . 0.0 109.423 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -72.31 -23.51 20.66 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.84 2.36 . . . . 0.0 112.231 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.19 -10.62 59.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.15 -0.969 . . . . 0.0 109.479 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' SG ' ' A' ' 10' ' ' CYS . 5.4 mp -121.35 147.65 47.82 Favored Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.272 -0.892 . . . . 0.0 109.475 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -41.04 151.12 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.847 2.365 . . . . 0.0 112.139 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.8 125.62 14.78 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.856 2.37 . . . . 0.0 112.253 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.15 -32.19 4.64 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 13' ' ' LEU . 28.5 m95 -60.44 133.54 56.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.323 -1.104 . . . . 0.0 109.408 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HD3' ' NH1' ' A' ' 7' ' ' ARG . 20.7 mttp -130.37 156.27 45.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.265 -0.897 . . . . 0.0 109.471 -178.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' NZ ' ' HA3' ' A' ' 69' ' ' GLY . 17.3 ptmt -148.27 152.57 37.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.289 -0.882 . . . . 0.0 109.484 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -126.69 158.07 37.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.411 -179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -127.32 115.31 18.8 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -112.59 131.8 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.275 -0.891 . . . . 0.0 109.455 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.5 mt -102.94 133.01 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.309 -0.869 . . . . 0.0 109.418 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -61.41 107.25 0.75 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 109.491 -179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -94.82 -8.03 38.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.276 -0.89 . . . . 0.0 109.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.6 t -97.66 130.64 44.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.293 -0.879 . . . . 0.0 109.495 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.87 146.57 16.41 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' C ' ' H ' ' A' ' 30' ' ' ALA . 62.5 tp -70.47 -33.62 71.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.194 -1.18 . . . . 0.0 109.448 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' C ' ' A' ' 30' ' ' ALA . 2.0 m -61.32 25.69 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.27 -0.894 . . . . 0.0 109.469 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.691 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.12 147.32 0.1 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.257 -0.902 . . . . 0.0 109.516 -179.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.44 -21.75 5.37 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -82.06 125.44 30.84 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.378 -1.072 . . . . 0.0 109.51 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -132.05 154.29 49.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.218 -0.926 . . . . 0.0 109.514 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 35' ' ' VAL . 65.8 t0 -127.26 146.69 50.34 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.555 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 75.6 t -113.24 132.39 62.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.227 -0.921 . . . . 0.0 109.523 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -113.79 145.76 40.94 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.257 -0.902 . . . . 0.0 109.44 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -120.62 134.08 55.31 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.214 -0.929 . . . . 0.0 109.502 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -113.12 129.45 56.5 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -0.923 . . . . 0.0 109.528 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.68 161.57 26.16 Favored Pre-proline 0 N--CA 1.49 1.553 0 O-C-N 121.266 -0.896 . . . . 0.0 109.457 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.16 -18.61 30.22 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.845 2.363 . . . . 0.0 112.244 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -81.37 -8.0 59.67 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.891 . . . . 0.0 109.413 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.01 -2.14 81.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -76.11 137.71 40.3 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.247 -1.149 . . . . 0.0 109.459 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -98.28 142.88 29.38 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.272 -0.892 . . . . 0.0 109.531 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.2 163.8 25.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.258 -0.901 . . . . 0.0 109.522 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.6 mtm180 -142.47 119.21 11.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.32 -0.862 . . . . 0.0 109.458 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.74 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.5 m 94.7 154.2 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.273 -0.892 . . . . 0.0 109.493 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.852 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -60.8 -48.01 94.14 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.529 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.852 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 10.9 Cg_endo -53.66 -29.91 53.25 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.79 2.327 . . . . 0.0 112.322 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 46' ' ' ARG . 9.6 tp-100 -76.04 -53.03 8.97 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.179 -0.951 . . . . 0.0 109.447 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.8 HD23 ' C ' ' A' ' 51' ' ' LEU . 6.8 tt -64.81 -44.75 88.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.274 -0.891 . . . . 0.0 109.53 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.67 76.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.249 -0.907 . . . . 0.0 109.578 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HG3' HH11 ' A' ' 53' ' ' ARG . 52.0 ttm-85 -62.41 -36.25 81.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.172 -0.955 . . . . 0.0 109.672 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -63.84 -47.25 81.52 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.218 -0.926 . . . . 0.0 109.555 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 55' ' ' LEU . 90.6 mt -75.39 -31.4 60.45 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.301 -0.875 . . . . 0.0 109.625 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.16 -173.62 48.29 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.54 ' O ' ' N ' ' A' ' 59' ' ' VAL . 83.3 m-20 -64.48 -23.73 67.38 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.245 -1.15 . . . . 0.0 109.421 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.461 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -40.98 -24.26 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.274 -0.892 . . . . 0.0 109.406 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.54 ' N ' ' O ' ' A' ' 57' ' ' ASN . 55.1 t -140.57 140.41 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.271 -0.893 . . . . 0.0 109.457 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -107.41 120.66 42.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.547 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.434 HD22 ' NZ ' ' A' ' 48' ' ' LYS . 5.3 mp -103.19 23.17 12.81 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.331 -0.856 . . . . 0.0 109.473 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.5 p -60.77 -35.71 77.12 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.453 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 11.7 t -82.05 10.9 5.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.291 -0.881 . . . . 0.0 109.421 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 65' ' ' ASP . 88.2 t80 -128.51 129.2 45.7 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.314 -0.866 . . . . 0.0 109.491 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' CG ' ' H ' ' A' ' 66' ' ' PHE . 38.9 t0 -80.04 -149.47 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.287 -0.883 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.728 ' CG ' ' N ' ' A' ' 67' ' ' ARG . 33.0 p90 -157.71 -56.54 0.08 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 109.462 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.728 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 14.7 ptm180 -54.05 -32.51 54.78 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.284 -0.885 . . . . 0.0 109.448 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -108.88 -36.96 5.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.317 -0.865 . . . . 0.0 109.458 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.403 ' HA3' ' NZ ' ' A' ' 19' ' ' LYS . . . 83.22 64.23 1.67 Allowed Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -138.41 158.81 43.55 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.289 -1.124 . . . . 0.0 109.434 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.3 tpt -97.18 144.36 27.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.261 -0.899 . . . . 0.0 109.499 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 O-C-N 121.223 -0.923 . . . . 0.0 109.436 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.669 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.692 1 C4'-C3'-C2' 110.99 7.79 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.489 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.41 1 C4'-C3'-C2' 110.887 7.687 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.533 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.476 4.3 1 C4'-C3'-C2' 110.876 7.676 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.428 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.49 5.362 1 C4'-C3'-C2' 110.906 7.706 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.436 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.49 5.408 2 C4'-C3'-C2' 110.912 7.712 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.436 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.565 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.484 4.94 1 C4'-C3'-C2' 110.941 7.741 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.444 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.482 4.777 1 C4'-C3'-C2' 110.861 7.661 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.444 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.726 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.61 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.506 6.646 1 C4'-C3'-C2' 110.553 7.353 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.854 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.857 1 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.525 ' N7 ' " H2'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.472 4.019 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.475 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.48 4.634 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.468 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.481 4.687 1 C4'-C3'-C2' 110.934 7.734 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.424 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.565 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.436 1 C4'-C3'-C2' 110.854 7.654 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.074 1 C4'-C3'-C2' 110.914 7.714 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.533 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.499 6.072 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.623 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.495 5.747 1 C4'-C3'-C2' 110.981 7.781 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.38 1 C4'-C3'-C2' 110.575 7.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -78.06 141.61 38.71 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.301 -0.874 . . . . 0.0 109.514 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 45.99 -151.34 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.246 -0.909 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -170.36 -58.75 0.04 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.61 170.06 16.54 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.238 -1.154 . . . . 0.0 109.474 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.8 p -141.09 149.85 42.14 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.449 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -73.98 150.44 40.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.319 -0.863 . . . . 0.0 109.484 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.68 126.51 30.59 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.223 -0.923 . . . . 0.0 109.448 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -74.16 -31.16 7.99 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.803 2.336 . . . . 0.0 112.204 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.65 57.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.208 -0.932 . . . . 0.0 109.477 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HB3' ' CD1' ' A' ' 17' ' ' TRP . 81.7 mt -110.56 144.61 30.57 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.427 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -41.66 159.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.809 2.339 . . . . 0.0 112.155 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -55.57 125.39 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.862 2.375 . . . . 0.0 112.246 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.63 -31.26 6.23 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.626 ' CH2' ' OG ' ' A' ' 39' ' ' SER . 52.7 m95 -59.51 137.48 58.0 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.268 -1.136 . . . . 0.0 109.472 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.0 150.38 44.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.187 -0.946 . . . . 0.0 109.437 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -131.75 141.29 49.47 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.242 -0.911 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -127.62 149.46 50.17 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.322 -0.861 . . . . 0.0 109.393 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -126.71 116.52 21.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.16 -0.963 . . . . 0.0 109.503 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 87.5 t -115.15 131.78 66.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.273 -0.892 . . . . 0.0 109.414 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.0 mt -101.26 133.71 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.179 -0.951 . . . . 0.0 109.526 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -64.11 110.89 2.32 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.306 -0.871 . . . . 0.0 109.434 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.9 -6.19 39.77 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.272 -0.892 . . . . 0.0 109.514 -179.137 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 30.8 t -98.16 129.53 44.94 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.28 -0.888 . . . . 0.0 109.494 -179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.76 16.45 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.697 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.8 tp -69.02 -32.37 71.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.24 -1.153 . . . . 0.0 109.491 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 30' ' ' ALA . 90.6 p -60.77 24.63 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.232 -0.917 . . . . 0.0 109.484 -179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.697 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -41.27 145.26 0.25 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.224 -0.922 . . . . 0.0 109.552 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.51 -20.84 5.48 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' NZ ' ' N4 ' ' C' ' 114' ' ' ' DC' . 89.1 tttt -81.66 128.8 34.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -1.14 . . . . 0.0 109.495 178.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.6 p -131.56 153.43 49.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.255 -0.903 . . . . 0.0 109.518 -177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -124.4 143.66 50.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.279 -0.888 . . . . 0.0 109.394 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.1 t -111.1 132.5 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.29 -0.881 . . . . 0.0 109.506 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -117.52 144.44 45.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.283 -0.886 . . . . 0.0 109.424 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -118.35 132.3 56.28 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.252 -0.905 . . . . 0.0 109.473 -179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -119.64 134.45 55.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.289 -0.882 . . . . 0.0 109.533 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.626 ' OG ' ' CH2' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -115.46 171.43 4.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.306 -0.871 . . . . 0.0 109.421 -179.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.41 -33.61 57.5 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.839 2.359 . . . . 0.0 112.212 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.5 t -60.4 -16.6 37.24 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.0 109.492 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.81 -2.75 85.7 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.407 ' O ' ' CE1' ' A' ' 45' ' ' PHE . 87.6 tttt -76.51 142.81 40.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.288 -1.125 . . . . 0.0 109.496 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -90.13 137.6 32.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.269 -0.894 . . . . 0.0 109.458 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CE1' ' O ' ' A' ' 43' ' ' LYS . 74.7 m-85 -123.93 151.03 44.04 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.296 -0.877 . . . . 0.0 109.459 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.696 ' O ' ' CB ' ' A' ' 47' ' ' SER . 45.7 mtm180 -136.53 110.08 8.0 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.454 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.696 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.2 m 92.42 162.58 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.288 -0.882 . . . . 0.0 109.494 177.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.669 ' N ' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.53 -42.51 20.06 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.238 -0.914 . . . . 0.0 109.458 -178.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 48' ' ' LYS . 60.7 Cg_exo -48.0 -39.34 32.78 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.879 2.386 . . . . 0.0 112.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 41.0 tt0 -78.93 -56.27 4.52 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.163 -0.961 . . . . 0.0 109.563 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 51' ' ' LEU . 8.5 tt -60.19 -19.47 54.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -0.851 . . . . 0.0 109.552 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' LYS . . . -76.22 -43.74 40.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.189 -0.944 . . . . 0.0 109.616 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.6 ' NH1' ' O ' ' A' ' 49' ' ' PRO . 59.0 mtm-85 -61.11 -34.35 74.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.307 -0.871 . . . . 0.0 109.638 179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -65.8 -52.48 50.36 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD11 ' CZ2' ' A' ' 17' ' ' TRP . 9.4 mp -62.68 -29.92 71.01 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.164 -0.96 . . . . 0.0 109.573 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.47 -139.64 37.73 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -100.1 34.46 2.32 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -1.177 . . . . 0.0 109.57 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.86 -21.04 17.73 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.321 -0.862 . . . . 0.0 109.476 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.2 t -146.7 152.24 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.295 -0.878 . . . . 0.0 109.419 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.525 ' C ' HD12 ' A' ' 61' ' ' LEU . 40.9 t0 -104.72 119.75 39.73 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.169 -0.957 . . . . 0.0 109.483 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.525 HD12 ' C ' ' A' ' 60' ' ' ASP . 9.5 mp -106.71 17.66 22.92 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.194 -0.941 . . . . 0.0 109.466 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -58.92 -41.74 88.04 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 109.499 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -87.16 30.26 0.78 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.301 -0.874 . . . . 0.0 109.471 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.95 121.39 44.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.212 -0.93 . . . . 0.0 109.477 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -78.33 167.77 20.84 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.316 -0.865 . . . . 0.0 109.461 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 16.5 m-85 -100.01 -55.8 2.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.276 -0.89 . . . . 0.0 109.492 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.721 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -76.77 -39.25 52.25 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.252 -0.905 . . . . 0.0 109.49 -179.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 70' ' ' LYS . 30.7 p -93.98 -9.11 38.0 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.287 -0.883 . . . . 0.0 109.418 -178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 39.01 24.83 0.03 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 68' ' ' THR . 19.9 ttmt -94.46 167.63 11.38 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.234 -1.156 . . . . 0.0 109.507 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' MET . 2.9 mmt -77.06 142.12 39.98 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.257 -0.902 . . . . 0.0 109.485 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' MET . 52.4 ttp . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.247 -0.908 . . . . 0.0 109.432 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.913 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.496 5.825 1 C4'-C3'-C2' 110.948 7.748 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.47 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.476 4.298 1 C4'-C3'-C2' 110.978 7.778 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.525 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.478 4.499 1 C4'-C3'-C2' 110.909 7.709 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.426 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.491 5.467 1 C4'-C3'-C2' 110.889 7.689 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.466 2 C4'-C3'-C2' 110.971 7.771 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.484 4.953 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.427 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.484 4.91 1 C4'-C3'-C2' 110.974 7.774 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.427 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.486 5.102 1 C4'-C3'-C2' 110.966 7.766 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.619 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.499 6.09 1 C4'-C3'-C2' 110.576 7.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.845 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.135 1 C4'-C3'-C2' 111.009 7.809 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.512 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.476 4.307 1 C4'-C3'-C2' 110.907 7.707 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.512 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.477 4.388 1 C4'-C3'-C2' 110.892 7.692 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.512 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.477 4.407 1 C4'-C3'-C2' 110.972 7.772 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.426 ' C6 ' H2'' ' C' ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.48 4.577 1 C4'-C3'-C2' 110.887 7.687 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.489 5.332 1 C4'-C3'-C2' 110.911 7.711 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.525 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.782 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.546 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.498 5.972 1 C4'-C3'-C2' 110.979 7.779 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.412 1 C4'-C3'-C2' 110.629 7.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -80.66 144.93 31.91 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.251 -0.906 . . . . 0.0 109.438 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.477 ' HG3' ' H ' ' A' ' 6' ' ' GLY . 0.0 OUTLIER -76.97 -172.5 2.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.219 -0.926 . . . . 0.0 109.482 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.477 ' H ' ' HG3' ' A' ' 5' ' ' GLN . . . -154.75 36.29 0.67 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 5' ' ' GLN . 89.5 mtm180 -88.49 142.1 27.98 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.321 -1.105 . . . . 0.0 109.523 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.5 p -141.79 154.62 45.35 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.446 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.78 152.43 42.72 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.136 -0.978 . . . . 0.0 109.439 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.6 m -104.0 121.21 48.6 Favored Pre-proline 0 N--CA 1.489 1.507 0 O-C-N 121.188 -0.945 . . . . 0.0 109.463 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.86 -30.43 11.3 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.917 2.412 . . . . 0.0 112.267 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.93 -12.59 58.33 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 HD23 ' CD2' ' A' ' 17' ' ' TRP . 9.5 mp -114.27 150.64 44.04 Favored Pre-proline 0 N--CA 1.49 1.567 0 O-C-N 121.215 -0.928 . . . . 0.0 109.535 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 50.0 Cg_exo -42.88 154.9 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.837 2.358 . . . . 0.0 112.21 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 14' ' ' PRO . 42.0 Cg_exo -54.24 126.33 21.79 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.831 2.354 . . . . 0.0 112.268 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.83 -31.46 5.52 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.55 ' CH2' ' CD2' ' A' ' 51' ' ' LEU . 51.5 m95 -59.88 139.25 57.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -1.149 . . . . 0.0 109.436 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -127.5 154.52 45.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.257 -0.902 . . . . 0.0 109.456 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' HZ1' ' C ' ' A' ' 69' ' ' GLY . 14.6 ptpt -138.11 147.08 43.62 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.869 . . . . 0.0 109.476 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -132.89 152.58 51.85 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.248 -0.907 . . . . 0.0 109.494 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -128.12 121.73 30.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.84 134.38 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.303 -0.873 . . . . 0.0 109.447 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.1 mt -101.62 144.15 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.207 -0.933 . . . . 0.0 109.501 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.558 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . 83.5 mtt180 -58.75 114.47 2.53 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -0.928 . . . . 0.0 109.506 -179.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 -1.58 24.14 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.922 . . . . 0.0 109.457 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.806 ' O ' ' O ' ' A' ' 27' ' ' GLY . 4.1 t -80.02 -162.52 0.44 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.28 -0.887 . . . . 0.0 109.495 -179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.806 ' O ' ' O ' ' A' ' 26' ' ' SER . . . -16.91 138.7 0.01 OUTLIER Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -175.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.715 ' C ' ' H ' ' A' ' 30' ' ' ALA . 56.2 tp -63.81 -37.87 88.99 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.225 -1.162 . . . . 0.0 109.446 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -55.78 9.29 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.26 -0.9 . . . . 0.0 109.433 179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.715 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -48.5 -80.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.257 -0.902 . . . . 0.0 109.493 -178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.04 -17.01 0.21 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.596 ' H ' ' C ' ' A' ' 30' ' ' ALA . 98.4 mttt -81.34 130.28 34.97 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.247 -1.149 . . . . 0.0 109.51 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.2 p -123.11 147.49 46.72 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.236 -0.915 . . . . 0.0 109.473 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -118.57 134.81 54.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.283 -0.885 . . . . 0.0 109.455 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.03 130.48 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.251 -0.906 . . . . 0.0 109.44 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -116.41 144.62 44.06 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.215 -0.928 . . . . 0.0 109.441 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -117.3 129.85 56.16 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 109.501 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -110.89 128.84 55.94 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.152 -0.968 . . . . 0.0 109.503 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.491 ' HB2' ' CH2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -112.33 167.72 8.73 Favored Pre-proline 0 N--CA 1.49 1.533 0 O-C-N 121.3 -0.875 . . . . 0.0 109.405 -179.725 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 17.2 Cg_endo -56.8 -20.43 35.53 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.859 2.373 . . . . 0.0 112.18 179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.0 p -73.2 -17.29 61.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.287 -0.883 . . . . 0.0 109.424 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.26 -2.45 88.15 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.35 141.48 36.9 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.236 -1.155 . . . . 0.0 109.514 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -88.84 138.29 31.55 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.233 -0.917 . . . . 0.0 109.462 -179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -126.54 155.37 42.5 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.308 -0.87 . . . . 0.0 109.501 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.587 ' O ' ' CB ' ' A' ' 47' ' ' SER . 1.5 ptm180 -160.57 78.98 0.64 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.258 -0.901 . . . . 0.0 109.407 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.587 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER 158.45 117.87 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.219 -0.926 . . . . 0.0 109.47 -179.234 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.688 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 15.7 tttp -43.31 -54.72 9.22 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.273 -0.892 . . . . 0.0 109.512 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.688 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 15.6 Cg_endo -56.75 -23.71 51.34 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.861 2.374 . . . . 0.0 112.275 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -73.38 -51.79 16.1 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.205 -0.934 . . . . 0.0 109.592 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.55 ' CD2' ' CH2' ' A' ' 17' ' ' TRP . 20.8 mt -64.03 -44.65 91.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.218 -0.926 . . . . 0.0 109.521 177.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.13 -41.55 60.14 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.582 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.696 HH11 ' CG ' ' A' ' 53' ' ' ARG . 2.0 ttt-85 -66.51 -38.7 87.78 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.919 . . . . 0.0 109.659 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -63.71 -52.32 61.08 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.497 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 HD12 HD11 ' A' ' 61' ' ' LEU . 97.5 mt -63.47 -23.01 67.22 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.22 -0.925 . . . . 0.0 109.557 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.81 -135.38 35.31 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -101.94 33.87 2.88 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.236 -1.155 . . . . 0.0 109.535 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.52 -22.89 13.95 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.399 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.434 ' HB ' HD13 ' A' ' 55' ' ' LEU . 88.4 t -141.85 142.99 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.302 -0.874 . . . . 0.0 109.493 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -101.72 118.92 37.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -0.884 . . . . 0.0 109.488 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD11 HD12 ' A' ' 55' ' ' LEU . 94.3 mt -107.1 18.6 21.53 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.297 -0.877 . . . . 0.0 109.403 179.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -55.5 -43.1 75.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.487 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.6 m -85.86 31.97 0.61 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.859 . . . . 0.0 109.432 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -110.18 123.76 50.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.237 -0.915 . . . . 0.0 109.449 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -83.43 -179.4 7.35 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.253 -0.904 . . . . 0.0 109.47 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -118.2 -55.54 2.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.256 -0.902 . . . . 0.0 109.41 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.697 ' CG ' HH11 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -52.1 -44.44 64.43 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.403 -179.127 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.605 ' O ' ' C ' ' A' ' 69' ' ' GLY . 67.8 p -113.37 10.72 18.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.259 -0.9 . . . . 0.0 109.45 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.605 ' C ' ' O ' ' A' ' 68' ' ' THR . . . 30.42 47.26 0.13 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 68' ' ' THR . 8.9 tptp -104.12 170.52 7.86 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.203 -1.175 . . . . 0.0 109.463 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.4 tpp -100.13 140.71 33.98 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.19 -0.944 . . . . 0.0 109.442 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.463 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.273 -0.892 . . . . 0.0 109.464 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.673 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.704 1 C4'-C3'-C2' 110.937 7.737 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.486 H2'' ' C8 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.45 1 C4'-C3'-C2' 110.868 7.668 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.486 ' C8 ' H2'' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.47 3.834 1 C4'-C3'-C2' 110.919 7.719 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.448 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.483 4.859 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.423 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.487 5.174 1 C4'-C3'-C2' 110.87 7.67 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.423 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.476 4.275 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.461 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.619 1 C4'-C3'-C2' 110.915 7.715 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.461 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.597 1 C4'-C3'-C2' 110.929 7.729 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.535 ' CY6' ' CY7' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . 0.401 ' C6 ' H2'A ' B' ' 109' ' ' TED . . . . . . . . 1 O4'--C1' 1.506 6.592 1 C4'-C3'-C2' 110.568 7.368 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.797 ' H8 ' " O5'" ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.498 5.989 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.494 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.543 1 C4'-C3'-C2' 110.881 7.681 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.508 H2'' ' C6 ' ' C' ' 114' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.481 4.696 1 C4'-C3'-C2' 110.9 7.7 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.526 ' OP2' ' CZ ' ' A' ' 67' ' ' ARG . . . . . . . . 1 O4'--C1' 1.479 4.53 1 C4'-C3'-C2' 110.936 7.736 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . 0.546 ' P ' ' OG ' ' A' ' 47' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.477 4.416 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.481 4.683 1 C4'-C3'-C2' 111.012 7.812 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.493 5.603 1 C4'-C3'-C2' 110.85 7.65 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.628 ' CY8' ' CY5' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.406 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.492 5.551 1 C4'-C3'-C2' 110.982 7.782 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.464 3.411 1 C4'-C3'-C2' 110.618 7.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.294 0.569 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.537 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 53.1 mtpt -80.7 153.15 28.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.206 -0.933 . . . . 0.0 109.414 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 1.8 tp-100 78.47 106.91 0.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.938 . . . . 0.0 109.418 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.512 ' O ' ' OE1' ' A' ' 20' ' ' GLU . . . -113.5 -36.85 1.38 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 HH21 ' HB2' ' A' ' 18' ' ' LYS . 75.8 mtp180 -75.16 155.54 36.85 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.268 -1.136 . . . . 0.0 109.558 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 67.9 p -140.88 146.01 36.92 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.152 -0.968 . . . . 0.0 109.465 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.6 p-10 -76.41 160.29 29.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.241 -0.912 . . . . 0.0 109.56 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -107.94 114.83 59.58 Favored Pre-proline 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 109.458 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.32 -30.64 93.34 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.8 2.334 . . . . 0.0 112.219 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.619 ' C ' HD12 ' A' ' 13' ' ' LEU . . . -81.84 -13.5 57.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.275 -0.89 . . . . 0.0 109.539 -178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.91 HD23 ' CD2' ' A' ' 17' ' ' TRP . 10.8 mp -113.34 154.29 45.39 Favored Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.284 -0.885 . . . . 0.0 109.472 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.68 156.18 19.46 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.864 2.376 . . . . 0.0 112.191 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.55 125.73 14.62 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.841 2.36 . . . . 0.0 112.228 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.48 -33.02 4.29 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.91 ' CD2' HD23 ' A' ' 13' ' ' LEU . 37.1 m95 -63.61 133.48 53.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.26 -1.141 . . . . 0.0 109.483 -179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB2' HH21 ' A' ' 7' ' ' ARG . 68.3 mttm -137.4 160.93 37.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.209 -0.932 . . . . 0.0 109.513 -178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -148.86 154.91 40.15 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.28 -0.888 . . . . 0.0 109.427 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' OE1' ' O ' ' A' ' 6' ' ' GLY . 52.8 tp10 -140.12 138.41 35.24 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -102.33 127.05 49.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.219 -0.926 . . . . 0.0 109.544 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -111.0 133.45 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.311 -0.868 . . . . 0.0 109.411 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ARG . 97.2 mt -103.31 141.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.238 -0.914 . . . . 0.0 109.456 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' ILE . 21.8 mmt180 -42.51 119.83 1.53 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.342 -0.849 . . . . 0.0 109.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -32.94 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.489 -179.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.7 m -128.19 153.74 46.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 109.513 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.58 142.48 9.23 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' C ' ' H ' ' A' ' 30' ' ' ALA . 55.7 tp -65.04 -32.39 74.09 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -1.14 . . . . 0.0 109.529 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -62.81 24.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.221 -0.925 . . . . 0.0 109.496 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.682 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -49.72 133.86 20.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.249 -0.907 . . . . 0.0 109.472 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.62 -24.61 4.88 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' NZ ' ' C8 ' ' C' ' 113' ' ' ' DG' . 15.8 tttp -69.25 126.09 28.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.233 -1.157 . . . . 0.0 109.412 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.415 ' O ' ' NH1' ' A' ' 67' ' ' ARG . 3.7 p -119.78 146.0 46.08 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.251 -0.905 . . . . 0.0 109.427 -176.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -125.98 143.69 50.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.26 -0.9 . . . . 0.0 109.395 177.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.64 129.13 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.293 -0.88 . . . . 0.0 109.576 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -111.78 146.8 36.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.255 -0.903 . . . . 0.0 109.503 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.471 ' OH ' ' O ' ' A' ' 66' ' ' PHE . 7.9 m-85 -122.1 135.82 54.85 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.225 -0.922 . . . . 0.0 109.442 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -120.86 135.02 55.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.224 -0.923 . . . . 0.0 109.501 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.631 ' OG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -95.93 166.41 14.49 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.252 -0.905 . . . . 0.0 109.403 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 20.4 Cg_endo -60.57 -15.81 38.85 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.817 2.345 . . . . 0.0 112.246 178.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.5 p -81.06 -6.03 58.33 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -0.9 . . . . 0.0 109.47 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.35 -4.11 85.33 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -76.91 142.88 39.93 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.253 -1.145 . . . . 0.0 109.517 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -98.14 146.31 25.7 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.25 -0.906 . . . . 0.0 109.483 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -137.73 167.91 20.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.285 -0.884 . . . . 0.0 109.49 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 47' ' ' SER . 44.2 ttp180 -163.06 83.64 0.5 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.935 . . . . 0.0 109.443 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER 155.95 124.29 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.333 -0.854 . . . . 0.0 109.449 -179.246 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.785 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -49.54 -49.29 72.81 Favored Pre-proline 0 N--CA 1.492 1.626 0 O-C-N 121.256 -0.902 . . . . 0.0 109.479 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.785 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 24.5 Cg_endo -61.74 -24.54 77.64 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.827 2.351 . . . . 0.0 112.262 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.55 -49.86 36.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.234 -0.917 . . . . 0.0 109.56 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 51' ' ' LEU . 10.8 mp -65.64 -42.08 91.89 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.24 -0.912 . . . . 0.0 109.553 178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.54 -44.41 65.79 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.307 -0.871 . . . . 0.0 109.546 179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.717 ' HG2' HH11 ' A' ' 53' ' ' ARG . 18.7 mtt-85 -67.11 -35.64 80.2 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.282 -0.887 . . . . 0.0 109.583 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -66.36 -50.93 61.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.269 -0.894 . . . . 0.0 109.506 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.4 mt -70.71 -24.91 62.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.238 -0.913 . . . . 0.0 109.615 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.11 -132.9 31.0 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ALA . 97.2 m-20 -96.73 -22.04 17.22 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.272 -1.134 . . . . 0.0 109.45 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASN . . . -43.97 -28.7 0.49 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.199 -0.938 . . . . 0.0 109.482 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.5 t -142.19 142.91 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.327 -0.858 . . . . 0.0 109.475 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 45.2 p-10 -105.46 120.12 40.8 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -0.923 . . . . 0.0 109.498 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' O ' ' NZ ' ' A' ' 48' ' ' LYS . 9.4 mp -106.24 17.85 22.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.225 -0.922 . . . . 0.0 109.446 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.8 m -63.64 -43.37 96.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.278 -0.889 . . . . 0.0 109.441 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.493 ' HB3' ' H ' ' A' ' 72' ' ' MET . 85.8 m -71.58 -34.53 70.0 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.268 -0.895 . . . . 0.0 109.49 179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' CD1' ' CB ' ' A' ' 12' ' ' ALA . 62.6 t80 -79.57 129.3 34.35 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.213 -0.93 . . . . 0.0 109.456 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -80.17 -141.58 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.31 -0.869 . . . . 0.0 109.431 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 66' ' ' PHE . 5.2 p90 -154.47 -49.06 0.09 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.23 -0.919 . . . . 0.0 109.483 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.43 ' N ' ' CG ' ' A' ' 66' ' ' PHE . 10.1 mmm180 -65.86 -45.12 83.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.283 -0.886 . . . . 0.0 109.458 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -106.13 -9.84 16.77 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.184 -0.948 . . . . 0.0 109.434 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.406 ' HA2' ' CZ ' ' A' ' 64' ' ' PHE . . . 53.92 72.77 0.49 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -134.93 147.69 49.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -1.123 . . . . 0.0 109.437 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.8 mmt -83.29 146.82 28.32 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.409 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.493 ' H ' ' HB3' ' A' ' 63' ' ' CYS . 78.0 mtm . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.831 ' H8 ' " O5'" ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.872 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.545 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.903 1 C4'-C3'-C2' 110.967 7.767 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.475 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 1 O4'--C1' 1.477 4.393 1 C4'-C3'-C2' 110.946 7.746 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.485 5.037 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.491 5.474 1 C4'-C3'-C2' 110.997 7.797 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.483 4.864 1 C4'-C3'-C2' 110.959 7.759 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.446 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.48 4.62 1 C4'-C3'-C2' 111.001 7.801 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.507 1 C4'-C3'-C2' 110.932 7.732 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.605 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.504 6.445 1 C4'-C3'-C2' 110.576 7.376 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.817 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.494 5.674 1 C4'-C3'-C2' 110.896 7.696 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.471 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.478 4.47 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.471 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.484 4.928 1 C4'-C3'-C2' 110.93 7.73 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.471 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.485 4.981 1 C4'-C3'-C2' 110.882 7.682 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.482 4.734 1 C4'-C3'-C2' 110.903 7.703 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.486 5.043 1 C4'-C3'-C2' 110.853 7.653 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.475 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.495 5.738 1 C4'-C3'-C2' 110.922 7.722 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.628 ' CY7' ' CY6' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.496 5.83 1 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.474 4.119 1 C4'-C3'-C2' 110.548 7.348 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 019 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' O ' ' O ' ' A' ' 4' ' ' LYS . 97.3 m-20 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 3' ' ' ASP . 12.2 mttm 44.06 -169.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.256 -0.902 . . . . 0.0 109.478 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.3 tt0 70.12 -48.15 0.63 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.903 . . . . 0.0 109.505 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 4' ' ' LYS . . . -119.63 -28.45 1.92 Allowed Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.586 ' NH2' ' OD1' ' A' ' 9' ' ' ASP . 2.0 tmt_? -87.19 140.36 29.63 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.266 -1.138 . . . . 0.0 109.538 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -142.13 154.0 44.54 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.293 -0.879 . . . . 0.0 109.434 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.586 ' OD1' ' NH2' ' A' ' 7' ' ' ARG . 95.6 m-20 -72.09 155.02 40.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.265 -0.897 . . . . 0.0 109.491 178.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -113.97 125.38 29.48 Favored Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.224 -0.923 . . . . 0.0 109.512 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -72.58 -22.86 20.49 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.924 2.416 . . . . 0.0 112.245 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 71' ' ' MET . . . -83.1 -25.15 32.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.238 -0.914 . . . . 0.0 109.463 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.8 mt -100.99 147.25 33.45 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.239 -0.913 . . . . 0.0 109.521 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 17' ' ' TRP . 9.8 Cg_endo -53.94 165.33 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.896 2.397 . . . . 0.0 112.137 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.59 124.24 15.36 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.832 2.355 . . . . 0.0 112.215 -178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.17 -32.37 4.76 Favored Glycine 0 N--CA 1.49 2.297 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.42 ' CD1' ' HG2' ' A' ' 14' ' ' PRO . 45.1 m95 -61.37 138.32 58.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.226 -1.161 . . . . 0.0 109.416 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -120.38 144.63 47.79 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.267 -0.896 . . . . 0.0 109.459 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -132.93 139.26 47.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.252 -0.905 . . . . 0.0 109.515 179.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.578 ' CD ' ' N ' ' A' ' 21' ' ' GLU . 11.3 tm-20 -129.77 155.28 46.2 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.232 -0.918 . . . . 0.0 109.453 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 83.0 tt0 -125.78 117.13 22.76 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.278 -0.888 . . . . 0.0 109.489 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' OE1' ' A' ' 20' ' ' GLU . 89.4 t -106.95 129.98 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.157 -0.965 . . . . 0.0 109.478 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.0 mt -103.63 133.1 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.315 -0.866 . . . . 0.0 109.458 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -63.42 105.24 0.73 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.251 -0.906 . . . . 0.0 109.42 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -91.94 -7.12 49.96 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -0.883 . . . . 0.0 109.452 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 p -97.78 131.14 44.57 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 109.48 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.84 144.76 13.19 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.815 ' O ' HD13 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -72.1 -43.88 64.1 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -1.111 . . . . 0.0 109.497 -179.718 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.513 ' O ' ' O ' ' A' ' 30' ' ' ALA . 50.2 m -61.43 25.18 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.471 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.696 ' H ' ' C ' ' A' ' 28' ' ' LEU . . . -40.85 164.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.246 -0.909 . . . . 0.0 109.458 -178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 127.85 -21.04 5.64 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.531 -1.427 . . . . 0.0 109.531 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.37 124.6 29.52 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.23 -1.159 . . . . 0.0 109.462 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -128.64 151.58 49.33 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.224 -0.923 . . . . 0.0 109.54 -177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -126.47 144.68 50.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.248 -0.908 . . . . 0.0 109.44 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.9 t -106.49 130.85 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.228 -0.92 . . . . 0.0 109.519 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -112.41 141.13 46.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.31 -0.869 . . . . 0.0 109.415 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 84.4 m-85 -120.04 132.47 55.47 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.149 -0.969 . . . . 0.0 109.473 -179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -118.32 133.55 55.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.253 -0.904 . . . . 0.0 109.455 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -105.75 166.53 11.16 Favored Pre-proline 0 N--CA 1.49 1.546 0 O-C-N 121.177 -0.952 . . . . 0.0 109.506 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 39' ' ' SER . 12.8 Cg_endo -55.2 -12.1 4.96 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.829 2.352 . . . . 0.0 112.273 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.0 p -83.72 -5.39 59.18 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.466 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.92 0.01 67.82 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -77.12 143.16 39.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -1.111 . . . . 0.0 109.508 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -88.67 139.0 30.92 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.302 -0.874 . . . . 0.0 109.427 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CG ' HD21 ' A' ' 51' ' ' LEU . 56.0 m-85 -125.8 150.56 47.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.228 -0.92 . . . . 0.0 109.51 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.553 ' O ' ' CB ' ' A' ' 47' ' ' SER . 48.4 ttp180 -158.36 73.0 0.63 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 0.0 109.425 179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 158.79 120.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.142 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.778 ' N ' ' HD2' ' A' ' 49' ' ' PRO . 0.6 OUTLIER -50.4 -49.81 75.01 Favored Pre-proline 0 N--CA 1.491 1.598 0 O-C-N 121.332 -0.855 . . . . 0.0 109.517 179.637 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.778 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 17.5 Cg_endo -57.86 -26.11 72.57 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.877 2.385 . . . . 0.0 112.256 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -74.6 -50.87 16.24 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.236 -0.915 . . . . 0.0 109.575 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.587 HD21 ' CG ' ' A' ' 45' ' ' PHE . 80.8 mt -65.65 -42.58 91.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.261 -0.899 . . . . 0.0 109.575 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.04 -44.78 67.67 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.283 -0.886 . . . . 0.0 109.594 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 53' ' ' ARG . 59.6 ttt-85 -67.61 -35.25 78.59 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.639 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -65.33 -53.45 43.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.268 -0.895 . . . . 0.0 109.498 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.2 mp -67.39 -22.06 65.57 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.296 -0.877 . . . . 0.0 109.55 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.13 -171.7 27.34 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 59' ' ' VAL . 47.8 p-10 -64.35 -23.19 67.21 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.283 -1.128 . . . . 0.0 109.51 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.481 ' N ' ' OD1' ' A' ' 57' ' ' ASN . . . -41.29 -25.34 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.0 109.484 179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 57' ' ' ASN . 19.8 t -143.27 144.37 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.299 -0.875 . . . . 0.0 109.469 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.523 ' O ' ' OD1' ' A' ' 60' ' ' ASP . 46.5 p-10 -101.51 117.85 35.75 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.282 -0.886 . . . . 0.0 109.473 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 61' ' ' LEU . 10.8 mp -101.63 12.21 37.58 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.23 -0.919 . . . . 0.0 109.436 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 64.6 m -60.07 -43.95 95.1 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.317 -0.864 . . . . 0.0 109.479 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.6 m -75.37 -30.71 60.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.206 -0.934 . . . . 0.0 109.486 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' CE1' ' HA2' ' A' ' 69' ' ' GLY . 33.8 t80 -60.81 130.08 44.68 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.479 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 66' ' ' PHE . 53.8 t0 -90.59 167.62 12.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.276 -0.89 . . . . 0.0 109.48 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 62.9 t80 -110.97 -56.6 2.35 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.501 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -55.58 -42.34 74.62 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.293 -0.88 . . . . 0.0 109.449 -179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.2 p -97.16 -38.36 9.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.474 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' HA2' ' CE1' ' A' ' 64' ' ' PHE . . . 78.45 35.7 32.3 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -113.77 172.0 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.201 -1.176 . . . . 0.0 109.452 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.54 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 8.2 ttm -119.44 133.89 55.48 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.444 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.5 ttp . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.254 -0.904 . . . . 0.0 109.484 179.762 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ' DG' . . . . . 0.872 ' H8 ' HO5' ' B' ' 100' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.872 1 C4'-C3'-C2' 110.988 7.788 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.518 ' C8 ' H2'' ' B' ' 100' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.467 3.639 1 C4'-C3'-C2' 110.918 7.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.517 ' N6 ' ' O4 ' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.471 3.925 1 C4'-C3'-C2' 110.923 7.723 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.477 1 C4'-C3'-C2' 110.939 7.739 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.44 H2'' ' C6 ' ' B' ' 105' ' ' 5CM . . . . . . . . 1 O4'--C1' 1.483 4.855 2 C4'-C3'-C2' 110.968 7.768 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' 5CM . . . . . 0.44 ' C6 ' H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.515 ' N2 ' ' C2 ' ' C' ' 116' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.479 4.548 1 C4'-C3'-C2' 110.965 7.765 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.445 H2'' ' C6 ' ' B' ' 108' ' ' ' DC' . . . . . . . . 1 O4'--C1' 1.479 4.534 1 C4'-C3'-C2' 110.873 7.673 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.445 ' C6 ' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.487 5.133 1 C4'-C3'-C2' 110.969 7.769 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' TED . . . . . 0.643 ' CY8' ' CY5' ' B' ' 109' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.5 6.118 1 C4'-C3'-C2' 110.621 7.421 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' ' DG' . . . . . 0.782 ' H8 ' HO5' ' C' ' 111' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.48 4.626 1 C4'-C3'-C2' 110.986 7.786 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.539 H2'' ' C8 ' ' C' ' 113' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.471 3.918 1 C4'-C3'-C2' 110.973 7.773 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' ' DG' . . . . . 0.539 ' C8 ' H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.478 4.45 1 C4'-C3'-C2' 110.985 7.785 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.519 ' C6 ' H2'' ' C' ' 113' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.483 4.871 1 C4'-C3'-C2' 110.92 7.72 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' 5CM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DG' . . . . . 0.515 ' C2 ' ' N2 ' ' B' ' 106' ' ' ' DG' . . . . . . . . 1 O4'--C1' 1.476 4.298 1 C4'-C3'-C2' 110.884 7.684 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O4'--C1' 1.476 4.329 1 C4'-C3'-C2' 111.001 7.801 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.517 ' O4 ' ' N6 ' ' B' ' 102' ' ' ' DA' . . . . . . . . 1 O4'--C1' 1.491 5.477 1 C4'-C3'-C2' 110.925 7.725 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' TED . . . . . 0.588 ' CY6' ' CY7' ' C' ' 119' ' ' TED . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DC' . . . . . 0.414 ' C6 ' H2'A ' C' ' 119' ' ' TED . . . . . . . . 1 O4'--C1' 1.498 6.027 1 C4'-C3'-C2' 110.938 7.738 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.47 3.83 1 C4'-C3'-C2' 110.671 7.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 301' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 302' ' ' ' MN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_