data_2l96_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 2l96 _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 ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -59.36 142.73 51.46 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . 0.552 ' H ' HD21 ' X' ' 19' ' ' LEU . . . 71.38 -49.99 0.69 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.971 0.795 . . . . 0.0 111.146 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 64.1 tp -58.03 -63.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.72 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 111.121 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.552 HD21 ' H ' ' X' ' 16' ' ' ALA . 3.8 mm? -73.94 -52.07 14.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 177.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' X' ' 20' ' ' LYS . 41.2 mmtm -71.77 -20.78 61.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 91.1 mt -70.87 -19.6 62.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.026 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.408 172.391 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.484 ' HA ' HD13 ' X' ' 17' ' ' LEU . 28.8 t90 . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -55.17 -42.73 73.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.723 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.05 82.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.273 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' X' ' 14' ' ' TRP . 6.6 mp -72.53 -53.05 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.317 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.08 68.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.871 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.39 -43.24 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.452 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.9 -8.97 58.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.51 -22.64 28.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.14 172.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 64.8 t90 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.807 0.337 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -57.15 -59.22 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.979 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -20.86 62.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.99 -59.1 2.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -66.93 -27.24 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -55.79 -47.56 76.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.168 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -95.21 -7.2 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.057 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 34.4 tp -77.93 -34.33 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.983 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . 0.642 ' HZ2' ' HB2' ' X' ' 22' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 121.537 0.684 . . . . 0.0 109.919 174.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.332 0.587 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -111.65 -33.04 6.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.827 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.06 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.806 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -85.45 -8.83 58.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.279 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' X' ' 22' ' ' LYS . . . -82.38 -30.69 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.465 -173.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 51.0 tp -56.63 -65.43 0.61 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -87.83 32.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.705 0.764 . . . . 0.0 110.12 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 tp -111.65 -50.22 2.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.948 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' X' ' 18' ' ' ALA . 17.3 ptpt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.783 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 . . . . . 0 C--O 1.224 -0.248 0 CA-C-O 120.469 0.176 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.25 -4.34 49.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.96 0.41 . . . . 0.0 110.941 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.1 13.96 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.829 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 45.3 tp -110.17 -56.9 2.27 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -69.16 -33.08 72.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.69 19.07 10.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 110.624 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.396 177.646 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 121.318 0.58 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.24 47.86 0.39 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.123 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.6 -50.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.184 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.06 -40.72 95.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -17.33 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.502 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.84 -48.8 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.424 . . . . 0.0 110.306 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -67.49 -20.08 65.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.874 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 39.6 tp -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.854 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.566 -177.387 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 72.5 m95 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.695 0.284 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -79.76 51.89 1.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.447 0.641 . . . . 0.0 111.036 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' X' ' 20' ' ' LYS . . . -154.63 -62.04 0.12 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.923 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 47.2 tp -57.5 -44.39 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.003 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.49 -13.77 60.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.005 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' X' ' 16' ' ' ALA . 32.0 mmmt -88.3 -49.28 7.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.42 -40.74 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.638 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.331 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . 0.412 ' HA ' HD13 ' X' ' 17' ' ' LEU . 41.3 m95 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 121.082 0.468 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.13 -39.47 82.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.69 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' X' ' 14' ' ' TRP . 7.3 mp -76.37 -39.01 54.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.272 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' X' ' 22' ' ' LYS . . . -62.0 -36.54 81.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -93.63 13.44 22.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.798 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -136.14 -48.76 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.647 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.65 -31.5 24.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.644 0.259 . . . . 0.0 110.561 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' X' ' 18' ' ' ALA . 66.4 mttm . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.299 0.571 . . . . 0.0 109.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.616 0.246 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . 0.59 ' HA ' HD21 ' X' ' 19' ' ' LEU . 74.4 mmtt -71.31 -23.54 61.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.288 0.566 . . . . 0.0 110.75 -176.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.72 15.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 84.1 mt -81.86 -53.65 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.002 -174.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' X' ' 15' ' ' LYS . 4.1 mm? -73.77 -11.29 60.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.152 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -97.52 -29.86 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 0.0 110.3 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 96.0 mt -65.46 -59.66 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.133 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -178.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 . . . . . 0 C--O 1.226 -0.161 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 34.4 mmtp -62.96 -28.5 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.596 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.83 62.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.972 0.415 . . . . 0.0 110.229 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.105 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.0 67.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.392 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 89.3 mt -66.33 -55.0 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.574 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -76.61 -13.08 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.82 -46.44 68.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.416 0.627 . . . . 0.0 109.888 176.013 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 mttp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.012 0.434 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -149.82 101.65 3.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.605 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.27 123.6 28.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.212 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -102.5 17.29 24.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.858 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.97 107.63 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.233 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.45 80.03 21.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.464 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -63.4 -29.49 71.96 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.789 2.326 . . . . 0.0 112.903 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . 0.493 ' HA ' ' HG ' ' X' ' 12' ' ' LEU . . . -71.7 -13.57 61.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -97.13 -9.73 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.555 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 95.9 mt -133.27 -41.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.09 6.64 47.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -169.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.493 ' HG ' ' HA ' ' X' ' 8' ' ' ALA . 23.9 mt -80.39 69.94 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.429 176.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' X' ' 15' ' ' LYS . 84.8 mt -91.56 -3.02 56.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.637 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 71.89 -22.77 0.2 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 0.0 112.449 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' X' ' 13' ' ' LEU . 56.9 mttp -59.36 142.73 51.46 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 173.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . 0.552 ' H ' HD21 ' X' ' 19' ' ' LEU . . . 71.38 -49.99 0.69 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.971 0.795 . . . . 0.0 111.146 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 64.1 tp -58.03 -63.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.72 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 111.121 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.552 HD21 ' H ' ' X' ' 16' ' ' ALA . 3.8 mm? -73.94 -52.07 14.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 177.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' X' ' 20' ' ' LYS . 41.2 mmtm -71.77 -20.78 61.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 91.1 mt -70.87 -19.6 62.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.026 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -101.76 4.48 40.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.408 172.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 60.33 44.6 12.16 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.039 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.322 175.413 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 58.82 50.62 8.4 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.791 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.2 59.55 2.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.18 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -91.99 -18.01 24.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.743 0.782 . . . . 0.0 109.344 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.38 48.27 1.59 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.708 -177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.2 75.66 74.28 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.168 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -61.26 -29.42 86.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.036 2.49 . . . . 0.0 112.912 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.67 68.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.163 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -136.61 36.81 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.169 0.509 . . . . 0.0 111.346 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 tp -147.58 -63.0 0.27 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.74 43.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.425 0.631 . . . . 0.0 109.74 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.2 -55.63 8.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.404 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 tp -87.89 -3.72 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.886 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.484 ' HA ' HD13 ' X' ' 17' ' ' LEU . 28.8 t90 -67.44 -14.23 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.076 -177.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -55.17 -42.73 73.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.723 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.05 82.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.273 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' X' ' 14' ' ' TRP . 6.6 mp -72.53 -53.05 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.317 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.08 68.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.871 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.39 -43.24 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.452 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.9 -8.97 58.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.51 -22.64 28.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.14 172.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' X' ' 24' ' ' ALA . 59.0 mttp -93.04 -33.02 14.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 73.46 -15.39 0.56 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.805 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' X' ' 22' ' ' LYS . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.108 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 121.061 0.458 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -92.31 -10.19 39.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.191 0.519 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -83.5 70.06 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.527 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 10.54 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.269 177.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 tp -127.94 97.15 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.471 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.85 70.56 12.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.782 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.74 -26.69 52.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.794 2.329 . . . . 0.0 112.413 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.06 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -98.19 0.88 46.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.476 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.64 -74.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.624 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.9 4.67 32.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.73 -35.14 60.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.198 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 50.6 tp -89.42 60.81 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.439 0.637 . . . . 0.0 109.939 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -141.9 -40.51 0.36 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -57.15 -59.22 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.979 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -20.86 62.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.99 -59.1 2.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -66.93 -27.24 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -55.79 -47.56 76.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.168 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -95.21 -7.2 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.057 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 34.4 tp -77.93 -34.33 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.983 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.642 ' HZ2' ' HB2' ' X' ' 22' ' ' LYS . 0.2 OUTLIER -90.69 -21.64 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.537 0.684 . . . . 0.0 109.919 174.362 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' X' ' 23' ' ' LYS . 1.7 tppp? 54.79 40.56 32.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.591 175.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.543 ' HB3' ' HE3' ' X' ' 22' ' ' LYS . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.481 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.363 0.602 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -131.3 51.5 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.423 0.63 . . . . 0.0 110.023 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.289 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.85 -33.39 16.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.37 0.605 . . . . 0.0 109.518 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.71 71.42 6.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.734 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.7 75.64 72.72 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.33 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . 0.497 ' HB2' ' HB3' ' X' ' 11' ' ' ALA . 6.0 Cg_exo -78.2 61.1 7.67 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.357 2.705 . . . . 0.0 111.708 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.7 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.572 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -140.45 -37.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.999 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 mp -89.54 27.1 1.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.576 -175.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' X' ' 7' ' ' PRO . . . -72.26 -57.94 3.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 110.481 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 tp -130.25 90.08 2.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.407 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.6 -12.54 34.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.229 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -88.8 40.5 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.274 -174.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -111.65 -33.04 6.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.827 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.06 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.806 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -85.45 -8.83 58.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.279 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' X' ' 22' ' ' LYS . . . -82.38 -30.69 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.465 -173.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 51.0 tp -56.63 -65.43 0.61 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -87.83 32.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.705 0.764 . . . . 0.0 110.12 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 tp -111.65 -50.22 2.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.948 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' X' ' 18' ' ' ALA . 17.3 ptpt -83.03 -33.06 26.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.783 175.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -106.18 68.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.425 0.631 . . . . 0.0 109.606 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.945 179.757 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -69.45 -179.07 1.55 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.92 0.867 . . . . 0.0 111.423 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 82.1 mt -91.19 100.3 13.15 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.715 -170.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -155.02 23.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.41 0.624 . . . . 0.0 110.078 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -152.53 110.75 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.26 87.72 46.69 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.02 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.73 -33.59 85.28 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.935 2.423 . . . . 0.0 112.745 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.02 22.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -152.64 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.71 0.29 . . . . 0.0 110.544 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.06 -52.34 36.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.51 73.74 1.51 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.901 0.382 . . . . 0.0 110.785 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -42.78 -54.72 3.97 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.97 -169.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 96.2 mt -127.14 18.32 7.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 52.28 33.44 12.67 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.418 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.25 -4.34 49.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.96 0.41 . . . . 0.0 110.941 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.1 13.96 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.829 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 45.3 tp -110.17 -56.9 2.27 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -69.16 -33.08 72.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.69 19.07 10.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 110.624 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -131.31 -32.18 1.58 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.396 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 74.94 -57.17 0.61 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.672 0.789 . . . . 0.0 111.195 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.422 177.351 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . 0.561 ' HZ1' ' HB3' ' X' ' 1' ' ' LYS . 4.0 mmmp? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.694 0.283 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 57.26 41.96 25.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.425 0.631 . . . . 0.0 110.448 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 46.1 tp -88.47 112.75 23.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.266 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -103.24 39.71 1.53 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.857 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.77 77.64 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.296 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.48 61.98 4.65 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.077 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.46 -26.98 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.753 2.302 . . . . 0.0 112.74 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.73 -22.96 64.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.882 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -132.19 31.89 4.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 110.415 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.36 -47.83 0.77 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.127 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.57 69.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.202 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' X' ' 12' ' ' LEU . 33.5 tp -110.04 4.75 21.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.28 0.562 . . . . 0.0 110.349 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 tp -115.58 70.96 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.248 0.547 . . . . 0.0 111.098 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -101.48 -14.93 17.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.318 0.58 . . . . 0.0 109.479 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.24 47.86 0.39 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.123 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.6 -50.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.184 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.06 -40.72 95.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -17.33 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.502 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.84 -48.8 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.424 . . . . 0.0 110.306 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -67.49 -20.08 65.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.874 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 39.6 tp -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.854 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -122.49 -47.48 2.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.566 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -102.52 131.21 49.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.061 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.899 176.537 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 52.5 tttp 64.07 41.36 6.41 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 123.664 0.603 . . . . 0.0 111.307 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.88 72.9 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.386 0.613 . . . . 0.0 110.296 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -126.44 1.22 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.711 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.502 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 56.3 mt -97.01 67.22 2.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.539 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.64 105.91 9.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 21.0 Cg_exo -66.12 -24.44 51.93 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.03 2.487 . . . . 0.0 112.515 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.16 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.02 -15.37 41.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -100.74 -17.59 16.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.958 0.408 . . . . 0.0 110.914 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 65.27 3.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.228 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 93.1 mt -126.03 31.83 5.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.058 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 tp -85.04 58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.482 0.658 . . . . 0.0 109.998 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.54 -31.88 15.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.825 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -79.76 51.89 1.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.447 0.641 . . . . 0.0 111.036 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' X' ' 20' ' ' LYS . . . -154.63 -62.04 0.12 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.923 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 47.2 tp -57.5 -44.39 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.003 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.49 -13.77 60.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.005 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' X' ' 16' ' ' ALA . 32.0 mmmt -88.3 -49.28 7.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.42 -40.74 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.638 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -90.76 -24.81 20.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.331 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm 72.91 -52.75 0.71 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.003 0.815 . . . . 0.0 111.215 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.958 -179.045 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 120.539 0.209 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -129.51 109.39 11.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.431 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt 61.74 54.69 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.173 172.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -117.96 -14.03 10.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.326 0.584 . . . . 0.0 109.934 175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . 0.417 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 9.7 mp -95.47 34.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.606 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.31 77.11 13.01 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.049 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 37.8 Cg_endo -94.71 53.95 0.25 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.399 2.733 . . . . 0.0 112.108 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' X' ' 12' ' ' LEU . . . -64.08 -33.11 75.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.985 0.421 . . . . 0.0 110.837 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -92.89 2.61 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.384 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.38 -61.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.259 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . 0.726 ' HB2' ' HB2' ' X' ' 14' ' ' TRP . . . -119.85 55.09 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.67 -175.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' X' ' 8' ' ' ALA . 37.5 tp -76.69 -33.0 58.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.775 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -86.87 -31.1 20.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.819 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . 0.726 ' HB2' ' HB2' ' X' ' 11' ' ' ALA . 41.3 m95 -77.75 -3.45 41.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.573 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.13 -39.47 82.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.69 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' X' ' 14' ' ' TRP . 7.3 mp -76.37 -39.01 54.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.272 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . 0.55 ' O ' ' HB2' ' X' ' 22' ' ' LYS . . . -62.0 -36.54 81.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -93.63 13.44 22.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.798 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -136.14 -48.76 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.647 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.65 -31.5 24.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.644 0.259 . . . . 0.0 110.561 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . 0.55 ' HB2' ' O ' ' X' ' 18' ' ' ALA . 66.4 mttm -90.44 -12.46 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.299 0.571 . . . . 0.0 109.92 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -99.23 126.99 45.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.715 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.791 175.739 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.796 0.332 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -104.49 2.39 30.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.331 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp -123.11 110.79 15.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.999 0.428 . . . . 0.0 111.033 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -125.97 19.24 7.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 0.0 109.754 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 91.9 mt -111.91 125.12 53.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.292 178.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.58 94.26 22.63 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -95.37 29.85 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.068 2.512 . . . . 0.0 112.468 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.4 73.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.532 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.12 6.48 29.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.309 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.55 -45.54 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -35.28 35.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.292 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 20.9 tp -88.56 50.92 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.295 0.569 . . . . 0.0 110.507 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . 0.502 HD22 ' H ' ' X' ' 13' ' ' LEU . 2.5 pt? -70.92 -26.37 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.264 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.08 -43.81 87.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.613 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.59 ' HA ' HD21 ' X' ' 19' ' ' LEU . 74.4 mmtt -71.31 -23.54 61.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.288 0.566 . . . . 0.0 110.75 -176.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.72 15.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 84.1 mt -81.86 -53.65 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.002 -174.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.59 HD21 ' HA ' ' X' ' 15' ' ' LYS . 4.1 mm? -73.77 -11.29 60.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.152 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -97.52 -29.86 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 0.0 110.3 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 96.0 mt -65.46 -59.66 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.133 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -84.06 -17.67 39.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 31.8 mtmm 65.17 19.33 11.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.368 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . 0.552 ' HB3' HD13 ' X' ' 19' ' ' LEU . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.166 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 121.204 0.526 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -136.58 16.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.786 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -126.64 101.17 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -122.63 26.61 8.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.261 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 tp 65.17 104.39 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.681 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' X' ' 9' ' ' LYS . . . 59.03 61.37 4.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.298 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' PRO . . . . . 0.436 ' HD3' ' N ' ' X' ' 6' ' ' ALA . 13.7 Cg_exo -69.51 -29.69 24.65 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.631 2.22 . . . . 0.0 112.17 -176.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.28 -2.32 58.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.144 0.497 . . . . 0.0 110.468 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.595 ' HB3' ' HB1' ' X' ' 6' ' ' ALA . 86.9 tttt -110.58 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.171 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 55.0 tp -80.5 -59.71 2.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.736 0.303 . . . . 0.0 110.921 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -56.04 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 tp 53.06 65.79 1.42 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.662 0.601 . . . . 0.0 110.853 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 54.35 55.43 8.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.524 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -51.31 -44.2 61.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.079 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 34.4 mmtp -62.96 -28.5 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.596 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.83 62.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.972 0.415 . . . . 0.0 110.229 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.105 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.0 67.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.392 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 89.3 mt -66.33 -55.0 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.574 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -76.61 -13.08 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.82 -46.44 68.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.47 -30.35 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.416 0.627 . . . . 0.0 109.888 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.09 9.98 18.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.827 -173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.574 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -59.36 142.73 51.46 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 16' ' ' ALA . . . . . 0.607 ' H ' HD23 ' X' ' 19' ' ' LEU . . . 71.38 -49.99 0.69 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.971 0.795 . . . . 0.0 111.146 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 64.1 tp -58.03 -63.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.72 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 111.121 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.607 HD23 ' H ' ' X' ' 16' ' ' ALA . 3.8 mm? -73.94 -52.07 14.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 177.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' X' ' 20' ' ' LYS . 41.2 mmtm -71.77 -20.78 61.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 91.1 mt -70.87 -19.6 62.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.026 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.408 172.391 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.514 ' HA ' HD13 ' X' ' 17' ' ' LEU . 28.8 t90 . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -55.17 -42.73 73.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.723 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.05 82.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.273 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' X' ' 14' ' ' TRP . 6.6 mp -72.53 -53.05 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.317 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.08 68.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.871 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.39 -43.24 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.452 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.9 -8.97 58.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.51 -22.64 28.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.14 172.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 64.8 t90 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.807 0.337 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -57.15 -59.22 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.979 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -20.86 62.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.99 -59.1 2.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -66.93 -27.24 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -55.79 -47.56 76.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.168 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -95.21 -7.2 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.057 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 34.4 tp -77.93 -34.33 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.983 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 121.537 0.684 . . . . 0.0 109.919 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.332 0.587 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -111.65 -33.04 6.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.827 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.06 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.806 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -85.45 -8.83 58.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.279 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' X' ' 22' ' ' LYS . . . -82.38 -30.69 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.465 -173.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 51.0 tp -56.63 -65.43 0.61 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -87.83 32.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.705 0.764 . . . . 0.0 110.12 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 tp -111.65 -50.22 2.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.948 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 22' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' X' ' 18' ' ' ALA . 17.3 ptpt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.783 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 . . . . . 0 C--O 1.224 -0.248 0 CA-C-O 120.469 0.176 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.25 -4.34 49.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.96 0.41 . . . . 0.0 110.941 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.1 13.96 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.829 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 45.3 tp -110.17 -56.9 2.27 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -69.16 -33.08 72.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.69 19.07 10.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 110.624 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.396 177.646 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 121.318 0.58 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.24 47.86 0.39 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.123 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.6 -50.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.184 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.06 -40.72 95.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -17.33 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.502 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.84 -48.8 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.424 . . . . 0.0 110.306 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -67.49 -20.08 65.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.874 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 39.6 tp -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.854 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.566 -177.387 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 72.5 m95 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.695 0.284 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -79.76 51.89 1.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.447 0.641 . . . . 0.0 111.036 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' X' ' 20' ' ' LYS . . . -154.63 -62.04 0.12 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.923 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 47.2 tp -57.5 -44.39 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.003 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.49 -13.77 60.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.005 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' X' ' 16' ' ' ALA . 32.0 mmmt -88.3 -49.28 7.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.42 -40.74 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.638 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.331 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 14' ' ' TRP . . . . . 0.444 ' HA ' HD13 ' X' ' 17' ' ' LEU . 41.3 m95 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 121.082 0.468 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.13 -39.47 82.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.69 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' X' ' 14' ' ' TRP . 7.3 mp -76.37 -39.01 54.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.272 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 18' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' X' ' 22' ' ' LYS . . . -62.0 -36.54 81.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -93.63 13.44 22.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.798 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -136.14 -48.76 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.647 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.65 -31.5 24.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.644 0.259 . . . . 0.0 110.561 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' X' ' 18' ' ' ALA . 66.4 mttm . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.299 0.571 . . . . 0.0 109.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.616 0.246 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 15' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' X' ' 19' ' ' LEU . 74.4 mmtt -71.31 -23.54 61.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.288 0.566 . . . . 0.0 110.75 -176.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.72 15.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 84.1 mt -81.86 -53.65 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.002 -174.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 15' ' ' LYS . 4.1 mm? -73.77 -11.29 60.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.152 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -97.52 -29.86 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 0.0 110.3 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 21' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 96.0 mt -65.46 -59.66 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.133 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -178.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 . . . . . 0 C--O 1.226 -0.161 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 15' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 34.4 mmtp -62.96 -28.5 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.596 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.83 62.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.972 0.415 . . . . 0.0 110.229 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.105 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.0 67.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.392 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 89.3 mt -66.33 -55.0 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.574 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -76.61 -13.08 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.82 -46.44 68.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.416 0.627 . . . . 0.0 109.888 176.013 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 mttp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.012 0.434 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -149.82 101.65 3.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.605 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.27 123.6 28.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.212 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -102.5 17.29 24.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.858 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.97 107.63 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.233 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.45 80.03 21.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.464 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -63.4 -29.49 71.96 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.789 2.326 . . . . 0.0 112.903 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ALA . . . . . 0.506 ' HA ' ' HG ' ' X' ' 12' ' ' LEU . . . -71.7 -13.57 61.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -97.13 -9.73 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.555 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 95.9 mt -133.27 -41.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.09 6.64 47.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -169.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.506 ' HG ' ' HA ' ' X' ' 8' ' ' ALA . 23.9 mt -80.39 69.94 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.429 176.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -91.56 -3.02 56.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.637 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 71.89 -22.77 0.2 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 0.0 112.449 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -59.36 142.73 51.46 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 16' ' ' ALA . . . . . 0.607 ' H ' HD23 ' X' ' 19' ' ' LEU . . . 71.38 -49.99 0.69 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.971 0.795 . . . . 0.0 111.146 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 64.1 tp -58.03 -63.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.72 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 111.121 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.607 HD23 ' H ' ' X' ' 16' ' ' ALA . 3.8 mm? -73.94 -52.07 14.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 177.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' X' ' 20' ' ' LYS . 41.2 mmtm -71.77 -20.78 61.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 91.1 mt -70.87 -19.6 62.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.026 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -101.76 4.48 40.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.408 172.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 60.33 44.6 12.16 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.039 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.322 175.413 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 58.82 50.62 8.4 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.791 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.2 59.55 2.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.18 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -91.99 -18.01 24.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.743 0.782 . . . . 0.0 109.344 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.38 48.27 1.59 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.708 -177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.2 75.66 74.28 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.168 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -61.26 -29.42 86.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.036 2.49 . . . . 0.0 112.912 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.67 68.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.163 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -136.61 36.81 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.169 0.509 . . . . 0.0 111.346 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 tp -147.58 -63.0 0.27 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.74 43.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.425 0.631 . . . . 0.0 109.74 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.2 -55.63 8.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.404 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 tp -87.89 -3.72 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.886 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.514 ' HA ' HD13 ' X' ' 17' ' ' LEU . 28.8 t90 -67.44 -14.23 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.076 -177.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -55.17 -42.73 73.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.723 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.05 82.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.273 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' X' ' 14' ' ' TRP . 6.6 mp -72.53 -53.05 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.317 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.08 68.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.871 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.39 -43.24 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.452 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.9 -8.97 58.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.51 -22.64 28.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.14 172.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -93.04 -33.02 14.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 73.46 -15.39 0.56 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.805 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.108 -179.456 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 121.061 0.458 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -92.31 -10.19 39.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.191 0.519 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -83.5 70.06 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.527 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.416 ' H ' ' HD3' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -134.86 10.54 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.269 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 tp -127.94 97.15 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.471 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.85 70.56 12.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.782 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.74 -26.69 52.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.794 2.329 . . . . 0.0 112.413 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.06 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -98.19 0.88 46.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.476 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.64 -74.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.624 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.9 4.67 32.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.73 -35.14 60.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.198 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 50.6 tp -89.42 60.81 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.439 0.637 . . . . 0.0 109.939 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -141.9 -40.51 0.36 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -57.15 -59.22 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.979 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -20.86 62.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.99 -59.1 2.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -66.93 -27.24 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -55.79 -47.56 76.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.168 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -95.21 -7.2 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.057 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 34.4 tp -77.93 -34.33 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.983 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 22' ' ' LYS . . . . . 0.6 ' HE3' ' HB3' ' X' ' 24' ' ' ALA . 0.2 OUTLIER -90.69 -21.64 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.537 0.684 . . . . 0.0 109.919 174.362 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' X' ' 23' ' ' LYS . 1.7 tppp? 54.79 40.56 32.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.591 175.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.6 ' HB3' ' HE3' ' X' ' 22' ' ' LYS . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.481 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.363 0.602 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -131.3 51.5 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.423 0.63 . . . . 0.0 110.023 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.289 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.85 -33.39 16.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.37 0.605 . . . . 0.0 109.518 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.71 71.42 6.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.734 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.7 75.64 72.72 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.33 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' PRO . . . . . 0.535 ' HB2' ' HB2' ' X' ' 11' ' ' ALA . 6.0 Cg_exo -78.2 61.1 7.67 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.357 2.705 . . . . 0.0 111.708 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.7 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.572 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -140.45 -37.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.999 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' LEU . . . . . 0.402 ' N ' HD12 ' X' ' 10' ' ' LEU . 6.5 mp -89.54 27.1 1.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.576 -175.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 11' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' X' ' 7' ' ' PRO . . . -72.26 -57.94 3.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 110.481 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 tp -130.25 90.08 2.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.407 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.6 -12.54 34.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.229 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -88.8 40.5 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.274 -174.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -111.65 -33.04 6.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.827 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.06 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.806 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -85.45 -8.83 58.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.279 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' X' ' 22' ' ' LYS . . . -82.38 -30.69 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.465 -173.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 51.0 tp -56.63 -65.43 0.61 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -87.83 32.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.705 0.764 . . . . 0.0 110.12 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 tp -111.65 -50.22 2.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.948 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' X' ' 18' ' ' ALA . 17.3 ptpt -83.03 -33.06 26.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.783 175.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -106.18 68.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.425 0.631 . . . . 0.0 109.606 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.945 179.757 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -69.45 -179.07 1.55 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.92 0.867 . . . . 0.0 111.423 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 82.1 mt -91.19 100.3 13.15 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.715 -170.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' X' ' 4' ' ' LYS . 58.6 tttp -155.02 23.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.41 0.624 . . . . 0.0 110.078 176.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -152.53 110.75 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.26 87.72 46.69 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.02 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.73 -33.59 85.28 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.935 2.423 . . . . 0.0 112.745 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.02 22.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -152.64 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.71 0.29 . . . . 0.0 110.544 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.06 -52.34 36.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.51 73.74 1.51 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.901 0.382 . . . . 0.0 110.785 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -42.78 -54.72 3.97 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.97 -169.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' HG2' ' X' ' 15' ' ' LYS . 96.2 mt -127.14 18.32 7.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 52.28 33.44 12.67 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.418 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.421 ' HG2' ' HB2' ' X' ' 13' ' ' LEU . 71.9 mmtt -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.25 -4.34 49.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.96 0.41 . . . . 0.0 110.941 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.1 13.96 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.829 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 45.3 tp -110.17 -56.9 2.27 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -69.16 -33.08 72.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.69 19.07 10.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 110.624 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -131.31 -32.18 1.58 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.396 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 74.94 -57.17 0.61 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.672 0.789 . . . . 0.0 111.195 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.422 177.351 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' X' ' 1' ' ' LYS . 4.0 mmmp? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.694 0.283 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 57.26 41.96 25.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.425 0.631 . . . . 0.0 110.448 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 46.1 tp -88.47 112.75 23.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.266 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -103.24 39.71 1.53 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.857 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.77 77.64 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.296 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.48 61.98 4.65 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.077 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.46 -26.98 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.753 2.302 . . . . 0.0 112.74 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.73 -22.96 64.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.882 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -132.19 31.89 4.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 110.415 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.36 -47.83 0.77 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.127 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.57 69.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.202 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' X' ' 12' ' ' LEU . 33.5 tp -110.04 4.75 21.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.28 0.562 . . . . 0.0 110.349 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 tp -115.58 70.96 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.248 0.547 . . . . 0.0 111.098 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -101.48 -14.93 17.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.318 0.58 . . . . 0.0 109.479 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.24 47.86 0.39 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.123 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.6 -50.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.184 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.06 -40.72 95.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -17.33 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.502 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.84 -48.8 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.424 . . . . 0.0 110.306 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -67.49 -20.08 65.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.874 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 39.6 tp -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.854 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -122.49 -47.48 2.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.566 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -102.52 131.21 49.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.061 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.899 176.537 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 52.5 tttp 64.07 41.36 6.41 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 123.664 0.603 . . . . 0.0 111.307 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.88 72.9 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.386 0.613 . . . . 0.0 110.296 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -126.44 1.22 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.711 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 56.3 mt -97.01 67.22 2.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.539 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.64 105.91 9.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 21.0 Cg_exo -66.12 -24.44 51.93 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.03 2.487 . . . . 0.0 112.515 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.16 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.02 -15.37 41.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -100.74 -17.59 16.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.958 0.408 . . . . 0.0 110.914 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 65.27 3.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.228 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 93.1 mt -126.03 31.83 5.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.058 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 tp -85.04 58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.482 0.658 . . . . 0.0 109.998 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.54 -31.88 15.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.825 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -79.76 51.89 1.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.447 0.641 . . . . 0.0 111.036 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' X' ' 20' ' ' LYS . . . -154.63 -62.04 0.12 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.923 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 47.2 tp -57.5 -44.39 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.003 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.49 -13.77 60.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.005 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' X' ' 16' ' ' ALA . 32.0 mmmt -88.3 -49.28 7.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.42 -40.74 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.638 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -90.76 -24.81 20.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.331 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm 72.91 -52.75 0.71 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.003 0.815 . . . . 0.0 111.215 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.958 -179.045 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 120.539 0.209 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -129.51 109.39 11.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.431 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt 61.74 54.69 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.173 172.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -117.96 -14.03 10.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.326 0.584 . . . . 0.0 109.934 175.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.435 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 9.7 mp -95.47 34.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.606 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.31 77.11 13.01 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.049 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 37.8 Cg_endo -94.71 53.95 0.25 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.399 2.733 . . . . 0.0 112.108 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' X' ' 12' ' ' LEU . . . -64.08 -33.11 75.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.985 0.421 . . . . 0.0 110.837 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -92.89 2.61 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.384 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.38 -61.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.259 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 11' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' X' ' 14' ' ' TRP . . . -119.85 55.09 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.67 -175.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' X' ' 8' ' ' ALA . 37.5 tp -76.69 -33.0 58.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.775 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -86.87 -31.1 20.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.819 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 14' ' ' TRP . . . . . 0.724 ' HB2' ' HB1' ' X' ' 11' ' ' ALA . 41.3 m95 -77.75 -3.45 41.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.573 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.13 -39.47 82.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.69 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' X' ' 14' ' ' TRP . 7.3 mp -76.37 -39.01 54.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.272 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 18' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' X' ' 22' ' ' LYS . . . -62.0 -36.54 81.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -93.63 13.44 22.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.798 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -136.14 -48.76 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.647 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.65 -31.5 24.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.644 0.259 . . . . 0.0 110.561 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' X' ' 18' ' ' ALA . 66.4 mttm -90.44 -12.46 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.299 0.571 . . . . 0.0 109.92 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -99.23 126.99 45.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.715 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.791 175.739 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.796 0.332 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -104.49 2.39 30.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.331 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp -123.11 110.79 15.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.999 0.428 . . . . 0.0 111.033 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -125.97 19.24 7.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 0.0 109.754 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' LEU . . . . . 0.4 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 91.9 mt -111.91 125.12 53.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.292 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.58 94.26 22.63 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 78.6 Cg_endo -95.37 29.85 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.068 2.512 . . . . 0.0 112.468 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.4 73.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.532 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.12 6.48 29.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.309 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.55 -45.54 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -35.28 35.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.292 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 20.9 tp -88.56 50.92 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.295 0.569 . . . . 0.0 110.507 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 13' ' ' LEU . . . . . 0.552 HD23 ' H ' ' X' ' 13' ' ' LEU . 2.5 pt? -70.92 -26.37 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.264 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.08 -43.81 87.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.613 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' X' ' 19' ' ' LEU . 74.4 mmtt -71.31 -23.54 61.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.288 0.566 . . . . 0.0 110.75 -176.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.72 15.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 84.1 mt -81.86 -53.65 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.002 -174.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 15' ' ' LYS . 4.1 mm? -73.77 -11.29 60.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.152 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -97.52 -29.86 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 0.0 110.3 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 96.0 mt -65.46 -59.66 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.133 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -84.06 -17.67 39.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 31.8 mtmm 65.17 19.33 11.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.368 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ALA . . . . . 0.591 ' HB2' HD12 ' X' ' 19' ' ' LEU . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.166 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 121.204 0.526 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -136.58 16.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.786 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -126.64 101.17 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -122.63 26.61 8.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.261 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 tp 65.17 104.39 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.681 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' X' ' 9' ' ' LYS . . . 59.03 61.37 4.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.298 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' X' ' 6' ' ' ALA . 13.7 Cg_exo -69.51 -29.69 24.65 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.631 2.22 . . . . 0.0 112.17 -176.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.28 -2.32 58.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.144 0.497 . . . . 0.0 110.468 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.685 ' HB3' ' HB1' ' X' ' 6' ' ' ALA . 86.9 tttt -110.58 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.171 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 55.0 tp -80.5 -59.71 2.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.736 0.303 . . . . 0.0 110.921 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -56.04 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 tp 53.06 65.79 1.42 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.662 0.601 . . . . 0.0 110.853 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 54.35 55.43 8.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.524 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -51.31 -44.2 61.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.079 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 34.4 mmtp -62.96 -28.5 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.596 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.83 62.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.972 0.415 . . . . 0.0 110.229 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.105 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.0 67.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.392 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 89.3 mt -66.33 -55.0 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.574 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -76.61 -13.08 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.82 -46.44 68.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.47 -30.35 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.416 0.627 . . . . 0.0 109.888 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.09 9.98 18.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.827 -173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.574 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -59.36 142.73 51.46 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . 0.607 ' H ' HD23 ' X' ' 19' ' ' LEU . . . 71.38 -49.99 0.69 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.971 0.795 . . . . 0.0 111.146 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 64.1 tp -58.03 -63.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.72 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 111.121 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.607 HD23 ' H ' ' X' ' 16' ' ' ALA . 3.8 mm? -73.94 -52.07 14.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 177.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' X' ' 20' ' ' LYS . 41.2 mmtm -71.77 -20.78 61.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 91.1 mt -70.87 -19.6 62.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.026 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.408 172.391 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.514 ' HA ' HD13 ' X' ' 17' ' ' LEU . 28.8 t90 . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 120.795 0.331 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -55.17 -42.73 73.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.723 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.05 82.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.273 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' X' ' 14' ' ' TRP . 6.6 mp -72.53 -53.05 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.317 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.08 68.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.871 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.39 -43.24 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.452 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.9 -8.97 58.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.51 -22.64 28.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.14 172.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 mttp . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.5 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 64.8 t90 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.807 0.337 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -57.15 -59.22 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.979 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -20.86 62.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.99 -59.1 2.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -66.93 -27.24 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -55.79 -47.56 76.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.168 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -95.21 -7.2 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.057 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 34.4 tp -77.93 -34.33 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.983 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 121.537 0.684 . . . . 0.0 109.919 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.332 0.587 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -111.65 -33.04 6.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.827 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.06 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.806 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -85.45 -8.83 58.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.279 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' X' ' 22' ' ' LYS . . . -82.38 -30.69 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.465 -173.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 51.0 tp -56.63 -65.43 0.61 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -87.83 32.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.705 0.764 . . . . 0.0 110.12 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 tp -111.65 -50.22 2.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.948 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' X' ' 18' ' ' ALA . 17.3 ptpt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.783 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 . . . . . 0 C--O 1.224 -0.248 0 CA-C-O 120.469 0.176 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.25 -4.34 49.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.96 0.41 . . . . 0.0 110.941 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.1 13.96 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.829 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 45.3 tp -110.17 -56.9 2.27 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -69.16 -33.08 72.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.69 19.07 10.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 110.624 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.396 177.646 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 121.318 0.58 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.24 47.86 0.39 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.123 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.6 -50.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.184 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.06 -40.72 95.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -17.33 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.502 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.84 -48.8 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.424 . . . . 0.0 110.306 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -67.49 -20.08 65.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.874 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 39.6 tp -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.854 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.566 -177.387 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 72.5 m95 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.695 0.284 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -79.76 51.89 1.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.447 0.641 . . . . 0.0 111.036 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' X' ' 20' ' ' LYS . . . -154.63 -62.04 0.12 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.923 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 47.2 tp -57.5 -44.39 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.003 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.49 -13.77 60.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.005 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' X' ' 16' ' ' ALA . 32.0 mmmt -88.3 -49.28 7.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.42 -40.74 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.638 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.331 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . 0.444 ' HA ' HD13 ' X' ' 17' ' ' LEU . 41.3 m95 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 121.082 0.468 . . . . 0.0 110.573 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.13 -39.47 82.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.69 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' X' ' 14' ' ' TRP . 7.3 mp -76.37 -39.01 54.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.272 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' X' ' 22' ' ' LYS . . . -62.0 -36.54 81.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -93.63 13.44 22.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.798 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -136.14 -48.76 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.647 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.65 -31.5 24.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.644 0.259 . . . . 0.0 110.561 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' X' ' 18' ' ' ALA . 66.4 mttm . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.299 0.571 . . . . 0.0 109.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.616 0.246 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' X' ' 19' ' ' LEU . 74.4 mmtt -71.31 -23.54 61.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.288 0.566 . . . . 0.0 110.75 -176.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.72 15.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 84.1 mt -81.86 -53.65 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.002 -174.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 15' ' ' LYS . 4.1 mm? -73.77 -11.29 60.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.152 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -97.52 -29.86 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 0.0 110.3 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 96.0 mt -65.46 -59.66 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.133 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 91.9 mttt . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -178.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 . . . . . 0 C--O 1.226 -0.161 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 34.4 mmtp -62.96 -28.5 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.596 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.83 62.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.972 0.415 . . . . 0.0 110.229 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.105 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.0 67.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.392 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 89.3 mt -66.33 -55.0 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.574 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -76.61 -13.08 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.82 -46.44 68.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mttp . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.416 0.627 . . . . 0.0 109.888 176.013 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 56.2 mttp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 121.012 0.434 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -149.82 101.65 3.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.605 176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt -81.27 123.6 28.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.212 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -102.5 17.29 24.01 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.858 176.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.97 107.63 4.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.233 -176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -119.45 80.03 21.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.464 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -63.4 -29.49 71.96 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.789 2.326 . . . . 0.0 112.903 -176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . 0.506 ' HA ' ' HG ' ' X' ' 12' ' ' LEU . . . -71.7 -13.57 61.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -97.13 -9.73 27.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.555 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 95.9 mt -133.27 -41.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -173.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.09 6.64 47.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -169.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.506 ' HG ' ' HA ' ' X' ' 8' ' ' ALA . 23.9 mt -80.39 69.94 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.261 0.553 . . . . 0.0 110.429 176.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -91.56 -3.02 56.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.637 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 71.89 -22.77 0.2 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.726 0.81 . . . . 0.0 112.449 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -59.36 142.73 51.46 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . 0.607 ' H ' HD23 ' X' ' 19' ' ' LEU . . . 71.38 -49.99 0.69 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.971 0.795 . . . . 0.0 111.146 -173.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.572 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 64.1 tp -58.03 -63.94 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.77 -20.72 66.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.955 0.407 . . . . 0.0 111.121 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.607 HD23 ' H ' ' X' ' 16' ' ' ALA . 3.8 mm? -73.94 -52.07 14.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.26 177.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' X' ' 20' ' ' LYS . 41.2 mmtm -71.77 -20.78 61.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.56 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 91.1 mt -70.87 -19.6 62.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.026 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -101.76 4.48 40.55 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.408 172.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt 60.33 44.6 12.16 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 114.662 -1.154 . . . . 0.0 111.039 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.322 175.413 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 58.82 50.62 8.4 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.791 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.2 59.55 2.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.18 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -91.99 -18.01 24.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.743 0.782 . . . . 0.0 109.344 174.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.38 48.27 1.59 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.708 -177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.2 75.66 74.28 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.168 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -61.26 -29.42 86.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 123.036 2.49 . . . . 0.0 112.912 -173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.67 68.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.163 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -136.61 36.81 2.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.169 0.509 . . . . 0.0 111.346 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 52.3 tp -147.58 -63.0 0.27 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.426 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.74 43.22 1.14 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.425 0.631 . . . . 0.0 109.74 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 tp -70.2 -55.63 8.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.404 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 31.7 tp -87.89 -3.72 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.009 0.433 . . . . 0.0 110.886 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.514 ' HA ' HD13 ' X' ' 17' ' ' LEU . 28.8 t90 -67.44 -14.23 62.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.076 -177.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -55.17 -42.73 73.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.723 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.05 82.35 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.273 -178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' X' ' 14' ' ' TRP . 6.6 mp -72.53 -53.05 13.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.317 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.08 68.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.871 -175.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 64.6 tp -67.39 -43.24 81.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.452 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.9 -8.97 58.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 mp -85.51 -22.64 28.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.14 172.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -93.04 -33.02 14.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.585 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 73.46 -15.39 0.56 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.763 -1.108 . . . . 0.0 111.805 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.108 -179.456 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 121.061 0.458 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -92.31 -10.19 39.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.191 0.519 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 42.2 tp -83.5 70.06 10.18 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.234 0.54 . . . . 0.0 110.527 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.416 ' H ' ' HD3' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -134.86 10.54 3.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.269 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 tp -127.94 97.15 4.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.471 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -146.85 70.56 12.32 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.782 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.74 -26.69 52.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.794 2.329 . . . . 0.0 112.413 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -15.06 62.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.035 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -98.19 0.88 46.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.476 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.1 mt -128.64 -74.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.624 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -84.9 4.67 32.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.73 -35.14 60.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.07 0.462 . . . . 0.0 110.198 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 50.6 tp -89.42 60.81 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.439 0.637 . . . . 0.0 109.939 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -141.9 -40.51 0.36 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.444 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -57.15 -59.22 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.979 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.36 -20.86 62.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.039 0.447 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 58.1 tp -71.99 -59.1 2.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' X' ' 21' ' ' LEU . . . -66.93 -27.24 67.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 40.8 tp -55.79 -47.56 76.88 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.168 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 pttm -95.21 -7.2 39.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.057 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.482 ' HB3' ' HA ' ' X' ' 18' ' ' ALA . 34.4 tp -77.93 -34.33 51.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.075 0.464 . . . . 0.0 109.983 177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . 0.6 ' HE3' ' HB3' ' X' ' 24' ' ' ALA . 0.2 OUTLIER -90.69 -21.64 21.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.537 0.684 . . . . 0.0 109.919 174.362 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' X' ' 23' ' ' LYS . 1.7 tppp? 54.79 40.56 32.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.591 175.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.6 ' HB3' ' HE3' ' X' ' 22' ' ' LYS . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.73 -0.652 . . . . 0.0 110.481 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 121.363 0.602 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -131.3 51.5 2.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.423 0.63 . . . . 0.0 110.023 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 7.2 mp -100.74 117.4 34.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.289 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.85 -33.39 16.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.37 0.605 . . . . 0.0 109.518 176.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.71 71.42 6.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.734 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.7 75.64 72.72 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.33 177.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . 0.535 ' HB2' ' HB2' ' X' ' 11' ' ' ALA . 6.0 Cg_exo -78.2 61.1 7.67 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.357 2.705 . . . . 0.0 111.708 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.79 -19.7 65.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.572 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -140.45 -37.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.902 0.382 . . . . 0.0 110.999 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . 0.402 ' N ' HD12 ' X' ' 10' ' ' LEU . 6.5 mp -89.54 27.1 1.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.576 -175.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' X' ' 7' ' ' PRO . . . -72.26 -57.94 3.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.009 0.433 . . . . 0.0 110.481 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 57.5 tp -130.25 90.08 2.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.407 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.6 -12.54 34.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.229 178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -88.8 40.5 0.98 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.274 -174.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -111.65 -33.04 6.47 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.827 176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.87 -45.06 91.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.806 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -85.45 -8.83 58.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.279 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' X' ' 22' ' ' LYS . . . -82.38 -30.69 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.465 -173.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 51.0 tp -56.63 -65.43 0.61 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.251 -175.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -87.83 32.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.705 0.764 . . . . 0.0 110.12 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 51.8 tp -111.65 -50.22 2.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.511 -0.768 . . . . 0.0 108.948 172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' X' ' 18' ' ' ALA . 17.3 ptpt -83.03 -33.06 26.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.783 175.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -106.18 68.59 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.425 0.631 . . . . 0.0 109.606 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.229 -0.891 . . . . 0.0 109.945 179.757 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -69.45 -179.07 1.55 Allowed 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 121.92 0.867 . . . . 0.0 111.423 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 82.1 mt -91.19 100.3 13.15 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.349 -1.296 . . . . 0.0 111.715 -170.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' X' ' 4' ' ' LYS . 58.6 tttp -155.02 23.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.41 0.624 . . . . 0.0 110.078 176.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 56.8 tp -152.53 110.75 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 -178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.26 87.72 46.69 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.02 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -61.73 -33.59 85.28 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.935 2.423 . . . . 0.0 112.745 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.02 22.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -152.64 -45.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.71 0.29 . . . . 0.0 110.544 177.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -68.06 -52.34 36.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.51 73.74 1.51 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.901 0.382 . . . . 0.0 110.785 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -42.78 -54.72 3.97 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.66 -1.155 . . . . 0.0 112.97 -169.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.421 ' HB2' ' HG2' ' X' ' 15' ' ' LYS . 96.2 mt -127.14 18.32 7.1 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 17.5 m-90 52.28 33.44 12.67 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.418 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.421 ' HG2' ' HB2' ' X' ' 13' ' ' LEU . 71.9 mmtt -65.97 -29.26 69.62 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -174.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.25 -4.34 49.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.96 0.41 . . . . 0.0 110.941 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.82 -59.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.521 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.1 13.96 3.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.829 -173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 45.3 tp -110.17 -56.9 2.27 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 174.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -69.16 -33.08 72.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt -94.69 19.07 10.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 110.624 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -131.31 -32.18 1.58 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.396 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 74.94 -57.17 0.61 Allowed 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.672 0.789 . . . . 0.0 111.195 179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.422 177.351 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' X' ' 1' ' ' LYS . 4.0 mmmp? . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.694 0.283 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 67.1 mttm 57.26 41.96 25.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.425 0.631 . . . . 0.0 110.448 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 46.1 tp -88.47 112.75 23.32 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.266 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -103.24 39.71 1.53 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.857 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.77 77.64 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.296 -176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.48 61.98 4.65 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.077 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.46 -26.98 62.39 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.753 2.302 . . . . 0.0 112.74 -173.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.73 -22.96 64.54 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.882 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -132.19 31.89 4.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 110.415 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 52.7 tp -134.36 -47.83 0.77 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.127 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.57 69.08 1.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.202 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' X' ' 12' ' ' LEU . 33.5 tp -110.04 4.75 21.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.28 0.562 . . . . 0.0 110.349 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 39.2 tp -115.58 70.96 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.248 0.547 . . . . 0.0 111.098 -176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -101.48 -14.93 17.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.318 0.58 . . . . 0.0 109.479 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -75.24 47.86 0.39 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.123 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.6 -50.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.184 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.06 -40.72 95.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.54 -17.33 62.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.502 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -76.84 -48.8 17.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.989 0.424 . . . . 0.0 110.306 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -67.49 -20.08 65.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.874 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 39.6 tp -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.854 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -122.49 -47.48 2.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.566 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -102.52 131.21 49.39 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.061 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.899 176.537 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 52.5 tttp 64.07 41.36 6.41 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 123.664 0.603 . . . . 0.0 111.307 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -78.88 72.9 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.386 0.613 . . . . 0.0 110.296 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -126.44 1.22 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.711 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 56.3 mt -97.01 67.22 2.2 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.539 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.64 105.91 9.1 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.977 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 21.0 Cg_exo -66.12 -24.44 51.93 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.03 2.487 . . . . 0.0 112.515 -177.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.16 71.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.683 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -86.02 -15.37 41.61 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.809 0.338 . . . . 0.0 111.181 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 94.6 mt -100.74 -17.59 16.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.958 0.408 . . . . 0.0 110.914 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.93 65.27 3.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.228 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 93.1 mt -126.03 31.83 5.37 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.058 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 tp -85.04 58.34 4.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.482 0.658 . . . . 0.0 109.998 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -91.54 -31.88 15.76 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.825 -177.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -79.76 51.89 1.37 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.447 0.641 . . . . 0.0 111.036 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' X' ' 20' ' ' LYS . . . -154.63 -62.04 0.12 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.923 177.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 47.2 tp -57.5 -44.39 84.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.003 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -74.49 -13.77 60.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.005 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' X' ' 16' ' ' ALA . 32.0 mmmt -88.3 -49.28 7.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.05 0.452 . . . . 0.0 110.256 176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.42 -40.74 81.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.638 -176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -90.76 -24.81 20.26 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.331 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 tptm 72.91 -52.75 0.71 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.003 0.815 . . . . 0.0 111.215 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.958 -179.045 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 120.539 0.209 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -129.51 109.39 11.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.08 0.467 . . . . 0.0 111.431 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 96.4 mt 61.74 54.69 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.173 172.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -117.96 -14.03 10.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.326 0.584 . . . . 0.0 109.934 175.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.435 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 9.7 mp -95.47 34.76 1.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.606 175.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.31 77.11 13.01 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.049 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 37.8 Cg_endo -94.71 53.95 0.25 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.399 2.733 . . . . 0.0 112.108 -176.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' X' ' 12' ' ' LEU . . . -64.08 -33.11 75.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.985 0.421 . . . . 0.0 110.837 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -92.89 2.61 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.384 178.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 85.4 mt -119.38 -61.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.259 -174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' X' ' 14' ' ' TRP . . . -119.85 55.09 0.99 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.67 -175.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' X' ' 8' ' ' ALA . 37.5 tp -76.69 -33.0 58.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.775 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 65.1 tp -86.87 -31.1 20.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.819 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . 0.724 ' HB2' ' HB1' ' X' ' 11' ' ' ALA . 41.3 m95 -77.75 -3.45 41.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.573 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -59.13 -39.47 82.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.69 176.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.44 78.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.874 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' X' ' 14' ' ' TRP . 7.3 mp -76.37 -39.01 54.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.272 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' X' ' 22' ' ' LYS . . . -62.0 -36.54 81.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.083 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -93.63 13.44 22.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.798 -176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -136.14 -48.76 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.647 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.65 -31.5 24.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.644 0.259 . . . . 0.0 110.561 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' X' ' 18' ' ' ALA . 66.4 mttm -90.44 -12.46 37.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.299 0.571 . . . . 0.0 109.92 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -99.23 126.99 45.16 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.715 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.181 -0.914 . . . . 0.0 109.791 175.739 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.796 0.332 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -104.49 2.39 30.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.331 -174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 53.8 tp -123.11 110.79 15.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.999 0.428 . . . . 0.0 111.033 -177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -125.97 19.24 7.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.622 0.725 . . . . 0.0 109.754 173.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . 0.4 ' O ' ' HD3' ' X' ' 7' ' ' PRO . 91.9 mt -111.91 125.12 53.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.292 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -111.58 94.26 22.63 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' X' ' 5' ' ' LEU . 78.6 Cg_endo -95.37 29.85 0.21 Allowed 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.068 2.512 . . . . 0.0 112.468 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.9 -50.4 73.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.532 -176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -86.12 6.48 29.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.309 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 60.8 tp -109.55 -45.54 3.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.835 0.35 . . . . 0.0 111.092 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.34 -35.28 35.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.292 -177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 20.9 tp -88.56 50.92 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.295 0.569 . . . . 0.0 110.507 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . 0.552 ' H ' HD23 ' X' ' 13' ' ' LEU . 2.5 pt? -70.92 -26.37 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.264 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -58.08 -43.81 87.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.613 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.629 ' HA ' HD23 ' X' ' 19' ' ' LEU . 74.4 mmtt -71.31 -23.54 61.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.288 0.566 . . . . 0.0 110.75 -176.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.72 15.94 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' X' ' 21' ' ' LEU . 84.1 mt -81.86 -53.65 5.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.002 -174.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.47 -38.47 91.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.777 0.322 . . . . 0.0 111.843 -172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 15' ' ' LYS . 4.1 mm? -73.77 -11.29 60.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.152 -177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -97.52 -29.86 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.36 . . . . 0.0 110.3 174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' X' ' 17' ' ' LEU . 96.0 mt -65.46 -59.66 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.133 175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -84.06 -17.67 39.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' X' ' 19' ' ' LEU . 31.8 mtmm 65.17 19.33 11.73 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.368 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . 0.591 ' HB2' HD12 ' X' ' 19' ' ' LEU . . . . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.166 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 121.204 0.526 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -136.58 16.95 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.786 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 tp -126.64 101.17 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.049 -178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -122.63 26.61 8.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.261 176.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 tp 65.17 104.39 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.681 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' X' ' 9' ' ' LYS . . . 59.03 61.37 4.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.298 -176.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' N ' ' X' ' 6' ' ' ALA . 13.7 Cg_exo -69.51 -29.69 24.65 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.631 2.22 . . . . 0.0 112.17 -176.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.28 -2.32 58.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.144 0.497 . . . . 0.0 110.468 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.685 ' HB3' ' HB1' ' X' ' 6' ' ' ALA . 86.9 tttt -110.58 -53.05 2.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.171 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 55.0 tp -80.5 -59.71 2.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.736 0.303 . . . . 0.0 110.921 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.95 -56.04 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.597 -179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 tp 53.06 65.79 1.42 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.662 0.601 . . . . 0.0 110.853 178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 54.35 55.43 8.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.524 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -51.31 -44.2 61.86 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.079 -175.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' X' ' 19' ' ' LEU . 34.4 mmtp -62.96 -28.5 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.596 -176.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.83 62.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.972 0.415 . . . . 0.0 110.229 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.66 -34.52 78.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.105 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.7 -25.0 67.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.392 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' X' ' 15' ' ' LYS . 89.3 mt -66.33 -55.0 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.358 . . . . 0.0 110.574 176.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -76.61 -13.08 60.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.804 -177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.82 -46.44 68.61 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -67.47 -30.35 70.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.416 0.627 . . . . 0.0 109.888 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -87.09 9.98 18.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.827 -173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.544 -0.741 . . . . 0.0 110.574 -179.821 . . . . . . . . 0 0 . 1 stop_ save_