data_2rpw_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 2rpw _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' TYR . . . . . 0.518 ' O ' HD22 ' X' ' 9' ' ' LEU . 1.1 t80 . . . . . 0 N--CA 1.445 -0.702 0 CA-C-O 121.443 0.64 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.742 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.9 mt -139.75 -34.44 0.56 Allowed 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 122.266 1.032 . . . . 0.0 108.834 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -53.3 12.85 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.202 159.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.401 HD21 HD11 ' X' ' 14' ' ' LEU . 96.1 mt -81.9 -29.66 32.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.435 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.742 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 3.5 t90 -68.76 -34.13 75.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.157 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.64 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -73.52 -1.47 18.69 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.102 -0.999 . . . . 0.0 109.45 178.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 84.0 mt -96.9 -18.86 19.23 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.4 164.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' X' ' 12' ' ' TRP . 51.1 m -72.9 -35.13 67.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.418 0.687 . . . . 0.0 109.657 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' X' ' 13' ' ' ALA . 2.8 pp -79.6 -14.13 59.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -85.07 -22.87 28.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -76.28 -8.33 56.85 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.808 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.903 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.358 177.714 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.507 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.4 t80 . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 122.108 0.956 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.755 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -158.83 -39.18 0.06 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.796 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.755 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 3.7 mtp180 -46.28 -66.61 0.38 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 111.141 -2.754 . . . . 0.0 111.142 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.507 ' HB2' ' HE1' ' X' ' 8' ' ' TYR . 97.6 mt -73.88 -12.57 60.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.616 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 4.4 t90 -76.28 -44.47 36.97 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.037 0.446 . . . . 0.0 110.647 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.662 ' HA ' HD22 ' X' ' 16' ' ' LEU . . . -70.78 -7.25 43.74 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.66 0.743 . . . . 0.0 109.277 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.564 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 78.8 mt -98.33 -19.58 17.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.283 169.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 66.1 m -72.97 -44.88 60.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.662 HD22 ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -74.11 -20.52 60.22 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -88.81 -5.81 57.8 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.181 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' X' ' 15' ' ' SER . 27.5 m170 -69.73 -5.27 24.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 163.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.966 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.514 171.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.575 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.6 mt -145.25 -48.47 0.23 Allowed 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 168.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -44.55 -54.05 6.45 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.158 156.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 98.2 mt -69.95 -26.8 64.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.443 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.631 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 11.2 t90 -66.05 -42.41 89.54 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 118.5 -1.28 . . . . 0.0 111.288 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 2.02 7.74 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.066 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.636 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 74.7 mt -101.59 -16.86 16.61 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.325 165.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 48.2 m -79.45 -35.05 41.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.758 0.823 . . . . 0.0 108.926 171.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 36.9 tp -69.34 -31.27 69.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.52 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -82.09 -10.21 59.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.752 177.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' X' ' 15' ' ' SER . 25.3 m170 -68.78 -11.39 60.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.09 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.551 177.111 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.714 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.593 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 60.4 mt -148.06 -43.41 0.16 Allowed 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 165.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -49.25 53.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.133 -2.303 . . . . 0.0 107.743 157.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.714 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 97.6 mt -73.17 -21.09 60.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.235 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.66 ' HA ' ' HB2' ' X' ' 15' ' ' SER . 11.9 t90 -67.57 -41.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.863 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.439 ' O ' ' HB1' ' X' ' 17' ' ' ALA . . . -74.66 6.91 3.4 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.26 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 33.9 mt -119.92 4.59 10.95 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.722 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.66 ' HB2' ' HA ' ' X' ' 12' ' ' TRP . 25.0 t -83.54 -39.27 20.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 108.96 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' X' ' 17' ' ' ALA . 0.5 OUTLIER -96.34 -24.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.249 172.137 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.474 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -96.02 9.65 40.08 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.977 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.573 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.1 p80 -60.77 -22.81 64.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.291 176.358 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.886 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -143.28 -36.59 0.37 Allowed 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.48 1.133 . . . . 0.0 109.126 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.46 -48.35 5.21 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.335 -2.211 . . . . 0.0 109.229 161.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.459 HD22 HD12 ' X' ' 14' ' ' LEU . 62.9 mt -88.97 -23.95 22.53 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.477 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.886 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.3 t90 -64.9 -41.78 95.3 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.573 0.624 . . . . 0.0 111.366 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.617 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.44 -5.14 30.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.214 0.531 . . . . 0.0 110.044 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.459 HD12 HD22 ' X' ' 11' ' ' LEU . 75.0 mt -104.74 -14.31 15.6 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.277 169.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 65.7 m -76.55 -44.43 34.82 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -72.42 -21.21 61.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.235 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.83 -5.03 51.93 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.047 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' X' ' 15' ' ' SER . 12.9 m170 -66.38 -13.86 61.26 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 164.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.122 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.887 174.228 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.558 ' O ' HD21 ' X' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 121.278 0.561 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.745 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 58.0 mt -135.92 -19.34 1.55 Allowed 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.352 1.072 . . . . 0.0 109.558 171.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -56.4 3.06 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.17 157.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.6 HD21 HD11 ' X' ' 14' ' ' LEU . 93.2 mt -82.92 -16.59 46.81 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.879 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.745 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 29.2 t90 -63.97 -46.52 84.29 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.821 170.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.914 ' HA ' HD22 ' X' ' 16' ' ' LEU . . . -76.62 14.29 0.83 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.69 0.757 . . . . 0.0 109.991 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.773 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 38.1 mt -124.41 -17.45 6.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.024 169.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.462 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 68.7 m -83.48 -36.58 24.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.914 HD22 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -74.48 -28.21 60.91 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 169.391 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -85.82 1.1 51.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.536 175.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' X' ' 15' ' ' SER . 22.3 m170 -73.47 -0.45 15.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.03 0.919 . . . . 0.0 108.525 166.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.252 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.156 171.814 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.441 ' HD1' ' C ' ' X' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 120.919 0.39 . . . . 0.0 111.843 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.71 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -147.39 -42.38 0.17 Allowed 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 122.548 1.166 . . . . 0.0 108.858 170.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.47 6.8 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.49 -2.141 . . . . 0.0 109.226 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.24 -26.76 35.58 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.95 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.71 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.7 t90 -63.14 -40.32 97.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.378 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.641 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -75.32 4.36 7.31 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.999 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -112.56 -5.28 14.03 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.757 166.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.7 m -83.83 -37.03 23.02 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.641 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.5 OUTLIER -88.56 -27.57 21.3 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 172.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.53 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.99 11.09 28.64 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -55.89 -28.09 55.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 166.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.99 177.673 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.758 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 63.9 mt -145.84 -39.61 0.23 Allowed 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.498 1.142 . . . . 0.0 108.617 166.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.449 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -46.53 -41.8 14.76 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.01 161.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.604 HD22 HD12 ' X' ' 14' ' ' LEU . 94.9 mt -87.13 -24.11 24.63 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.441 175.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.758 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 10.6 t90 -61.74 -44.18 97.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.912 173.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.88 15.6 0.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.305 0.574 . . . . 0.0 110.456 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 45.8 mt -123.53 -20.18 5.63 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.302 168.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 46.6 m -87.62 -32.39 19.31 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -79.24 -27.76 42.44 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 167.307 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -84.99 3.2 39.59 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.401 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' X' ' 15' ' ' SER . 15.3 m170 -68.81 -5.66 22.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.689 0.757 . . . . 0.0 109.098 168.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.113 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.026 172.39 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.477 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 120.584 0.23 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.748 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 64.5 mt -144.09 -40.1 0.28 Allowed 'General case' 0 CA--C 1.485 -1.532 0 CA-C-O 122.373 1.082 . . . . 0.0 109.502 175.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.4 -52.71 12.44 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.504 -2.135 . . . . 0.0 108.65 163.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.25 -22.85 28.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.71 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.748 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 2.1 t90 -69.25 -35.3 75.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 118.516 -1.273 . . . . 0.0 110.916 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.555 ' HA ' HD22 ' X' ' 16' ' ' LEU . . . -71.48 -0.38 10.32 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.523 0.678 . . . . 0.0 109.632 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.527 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 33.3 mt -112.75 -5.44 13.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.716 166.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.602 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 31.9 t -85.72 -41.82 14.78 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.111 0.964 . . . . 0.0 109.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -76.97 -22.64 52.91 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 171.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -91.88 2.37 56.57 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.375 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.602 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.5 m170 -60.38 -20.1 58.31 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.533 168.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.95 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.731 176.273 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 47.5 mt -146.89 -45.26 0.18 Allowed 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -45.59 -48.57 14.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 112.286 -2.233 . . . . 0.0 108.473 158.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.71 -26.95 58.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.64 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.62 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.0 t90 -57.96 -46.16 85.55 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 110.963 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 1.15 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -73.99 8.36 2.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.49 ' C ' ' HB3' ' X' ' 18' ' ' HIS . 34.5 mt -129.89 -6.1 4.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.433 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -117.13 -16.42 10.42 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.307 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.478 HD23 ' HD1' ' X' ' 12' ' ' TRP . 0.7 OUTLIER -148.52 -3.07 0.48 Allowed 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.209 169.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 1.15 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -108.81 6.25 25.35 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 167.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.49 ' HB3' ' C ' ' X' ' 14' ' ' LEU . 0.7 OUTLIER -67.83 -14.19 62.76 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 113.053 -1.885 . . . . 0.0 106.31 162.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.273 174.319 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.4 mt -147.8 -44.68 0.16 Allowed 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 163.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.408 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -47.72 -50.5 24.99 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 112.249 -2.25 . . . . 0.0 108.251 158.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 86.5 mt -70.5 -28.18 64.77 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.479 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.634 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.5 t90 -64.5 -47.12 80.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.7 0.682 . . . . 0.0 111.773 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.816 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -69.88 -10.32 58.08 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 92.3 mt -93.88 -20.91 19.61 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.186 170.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 56.2 m -73.17 -36.2 66.57 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.816 HD21 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -79.55 -24.01 42.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.307 173.227 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.563 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -83.74 -12.73 55.38 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.928 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.17 -16.0 63.04 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.274 176.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.438 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.5 t80 . . . . . 0 N--CA 1.442 -0.83 0 CA-C-O 122.049 0.928 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.741 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -164.63 -37.34 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 123.536 1.636 . . . . 0.0 107.779 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.741 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 2.1 mtp180 -48.31 -62.51 1.45 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 111.054 -2.793 . . . . 0.0 111.148 175.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.697 HD21 HD11 ' X' ' 14' ' ' LEU . 79.0 mt -76.78 -13.07 60.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.655 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.9 t90 -72.83 -40.91 65.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.959 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -75.26 0.13 17.62 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.61 0.719 . . . . 0.0 109.587 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.697 HD11 HD21 ' X' ' 11' ' ' LEU . 77.8 mt -105.54 -17.12 14.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.4 168.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 67.1 m -79.04 -38.64 36.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.959 HD21 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -72.62 -25.66 61.39 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 169.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -86.67 1.38 52.16 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.21 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' X' ' 15' ' ' SER . 47.1 m170 -66.7 -10.91 51.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 164.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.104 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.622 174.326 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.536 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 121.085 0.469 . . . . 0.0 111.972 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.717 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 65.5 mt -143.59 -42.67 0.28 Allowed 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 165.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -45.32 37.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 111.984 -2.371 . . . . 0.0 108.64 158.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 95.7 mt -77.74 -31.05 51.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.214 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.717 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.6 t90 -60.56 -43.8 96.86 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.6 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.939 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.47 -3.32 23.67 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.068 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.47 HD12 HD21 ' X' ' 11' ' ' LEU . 87.0 mt -99.42 -23.22 15.2 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.019 168.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 60.6 m -76.38 -36.71 57.99 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.939 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -77.08 -28.71 54.69 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.723 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.466 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -84.57 -6.53 59.37 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.248 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' X' ' 15' ' ' SER . 20.0 m170 -57.35 -19.64 24.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.183 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.664 177.244 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.501 ' O ' HD21 ' X' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.44 -0.931 0 CA-C-O 120.959 0.409 . . . . 0.0 110.695 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.827 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 84.1 mt -137.9 -33.49 0.7 Allowed 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 122.27 1.033 . . . . 0.0 109.909 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.56 -43.98 17.59 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 112.997 -1.911 . . . . 0.0 108.58 160.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 98.8 mt -90.01 -21.11 22.54 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.285 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.827 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.8 t90 -66.09 -38.99 89.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.064 -1.055 . . . . 0.0 111.257 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -70.88 0.75 6.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.715 0.769 . . . . 0.0 109.72 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 38.3 mt -110.44 -7.17 14.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.923 166.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.587 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 70.4 m -83.61 -40.32 19.19 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.669 0.788 . . . . 0.0 109.66 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.537 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -82.3 -13.64 56.64 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.312 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -99.23 4.41 46.65 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.587 ' HB2' ' O ' ' X' ' 15' ' ' SER . 5.8 m170 -62.5 -17.23 59.19 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 167.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.077 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.882 175.757 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.488 ' O ' HD22 ' X' ' 9' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.384 0.611 . . . . 0.0 109.752 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.766 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 57.1 mt -138.75 -29.45 0.79 Allowed 'General case' 0 CA--C 1.491 -1.318 0 CA-C-O 122.264 1.031 . . . . 0.0 109.29 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -55.11 6.56 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.735 -2.03 . . . . 0.0 107.984 157.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 96.9 mt -76.93 -23.78 52.45 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.298 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.766 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 17.1 t90 -67.74 -42.01 82.52 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.62 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.08 1.48 8.95 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.565 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.724 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 46.0 mt -110.82 -3.24 15.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.943 165.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 15' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 74.9 m -80.84 -43.33 20.15 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 123.501 0.72 . . . . 0.0 109.702 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -78.72 -21.84 47.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -91.91 2.45 56.53 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.492 177.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.0 m170 -62.22 -18.86 62.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 167.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.998 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.777 175.607 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.474 ' HD1' ' C ' ' X' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.601 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 24.5 mt -150.41 -41.64 0.13 Allowed 'General case' 0 CA--C 1.493 -1.23 0 CA-C-O 122.822 1.296 . . . . 0.0 107.955 168.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -49.39 -48.64 46.86 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.053 -2.34 . . . . 0.0 108.714 162.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.578 ' HA ' HD11 ' X' ' 14' ' ' LEU . 32.3 tp -77.06 -24.41 51.96 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.712 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.601 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 14.6 t90 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.818 -0.551 . . . . 0.0 111.211 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 1.032 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . . . -79.09 12.54 2.2 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.711 0.767 . . . . 0.0 109.695 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' X' ' 11' ' ' LEU . 52.3 mt -115.87 -9.47 11.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.032 166.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -84.2 -75.1 0.35 Allowed 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.661 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.0 -12.47 13.23 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.268 0.556 . . . . 0.0 110.127 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 1.032 ' HB2' ' HA ' ' X' ' 13' ' ' ALA . . . -99.62 13.12 34.63 Favored 'General case' 0 CA--C 1.483 -1.602 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 176.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 8.6 p80 -58.48 -23.09 56.91 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 112.576 -2.102 . . . . 0.0 107.104 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.662 -1.153 . . . . 0.0 112.749 177.378 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.559 ' O ' ' HD1' ' X' ' 8' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.182 0.515 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.728 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 17.3 mt -99.49 -22.82 15.33 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 122.547 1.165 . . . . 0.0 110.049 -162.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -40.34 -52.86 2.66 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 112.109 -2.314 . . . . 0.0 109.837 157.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 98.3 mt -85.63 -28.61 24.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.139 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.728 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 22.4 t90 -65.42 -46.55 79.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.189 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -72.19 -5.59 36.77 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.012 0.434 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.819 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 96.0 mt -98.08 -16.31 19.63 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.122 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -67.47 -48.15 68.01 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.427 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -81.01 -8.04 59.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.738 174.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.819 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -90.85 -17.7 26.08 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -70.58 -11.17 60.76 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 167.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.809 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.564 173.885 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.472 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 121.165 0.507 . . . . 0.0 109.722 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 39.2 mt -140.44 -28.61 0.71 Allowed 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 122.228 1.013 . . . . 0.0 109.832 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.03 9.63 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 112.957 -1.929 . . . . 0.0 108.552 159.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' X' ' 8' ' ' TYR . 56.1 mt -86.97 -17.53 32.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.917 -1.492 . . . . 0.0 110.284 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.743 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 23.5 t90 -58.66 -46.65 86.72 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.57 170.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.615 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . . . -74.33 13.11 0.62 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.617 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 19.4 mt -127.19 -27.36 2.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.349 171.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 36.0 t -99.38 -34.67 10.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -172.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.671 HD21 ' HE1' ' X' ' 12' ' ' TRP . 61.5 tp -113.99 -23.58 9.5 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.231 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' X' ' 13' ' ' ALA . . . -89.86 8.41 32.23 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.73 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.0 OUTLIER -57.86 -26.06 61.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.929 177.757 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.729 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 41.9 mt -148.99 -37.11 0.17 Allowed 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 122.391 1.091 . . . . 0.0 108.76 169.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.436 ' NH2' HD13 ' X' ' 9' ' ' LEU . 0.0 OUTLIER -49.92 -45.13 50.7 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 112.674 -2.057 . . . . 0.0 109.072 162.492 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.524 HD22 HD11 ' X' ' 14' ' ' LEU . 36.4 mt -81.09 -30.25 34.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.688 175.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.729 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.2 t90 -66.71 -39.49 88.06 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.554 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.92 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -74.59 3.3 7.98 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.006 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.541 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 73.8 mt -102.87 -21.22 14.04 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.175 163.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 39.3 t -73.21 -44.62 59.41 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.802 0.841 . . . . 0.0 109.048 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.92 HD21 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -73.1 -25.85 61.02 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -87.0 -3.94 59.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.719 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -64.21 -12.44 40.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 166.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.085 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.818 174.287 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 121.39 0.614 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 9' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 23.8 mt -142.04 -22.91 0.7 Allowed 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 122.71 1.243 . . . . 0.0 108.822 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 10' ' ' ARG . . . . . 0.582 ' HG2' ' N ' ' X' ' 11' ' ' LEU . 0.0 OUTLIER -57.9 -25.35 60.73 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 112.052 -2.34 . . . . 0.0 109.07 167.678 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.582 ' N ' ' HG2' ' X' ' 10' ' ' ARG . 63.3 mt -105.88 -25.68 12.04 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.881 174.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 12' ' ' TRP . . . . . 0.844 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.5 t90 -68.48 -41.86 79.51 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.421 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 13' ' ' ALA . . . . . 0.668 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.59 -6.65 45.59 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.315 0.578 . . . . 0.0 109.672 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.602 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 96.3 mt -97.76 -15.97 20.08 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.37 168.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -74.44 -41.64 60.5 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 16' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.8 OUTLIER -74.76 -20.55 59.77 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' X' X ' 17' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -85.9 -12.02 51.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -73.98 -9.4 58.6 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.789 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.493 173.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.54 ' O ' HG23 ' X' ' 5' ' ' THR . 18.5 ptmt -144.7 133.42 22.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -63.68 -14.37 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.332 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -101.78 21.63 14.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.85 HG22 ' H ' ' X' ' 6' ' ' ALA . 1.6 t -64.1 -69.89 0.25 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.645 171.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.85 ' H ' HG22 ' X' ' 5' ' ' THR . . . 63.85 89.84 0.09 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 113.615 -1.63 . . . . 0.0 112.357 173.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 72.5 m 59.98 26.58 15.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.921 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.518 ' O ' HD22 ' X' ' 9' ' ' LEU . 1.1 t80 -116.54 57.05 0.78 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.443 0.64 . . . . 0.0 109.3 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.742 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.9 mt -139.75 -34.44 0.56 Allowed 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 122.266 1.032 . . . . 0.0 108.834 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -53.3 12.85 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.202 159.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.401 HD21 HD11 ' X' ' 14' ' ' LEU . 96.1 mt -81.9 -29.66 32.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.435 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.742 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 3.5 t90 -68.76 -34.13 75.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.157 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.64 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -73.52 -1.47 18.69 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.102 -0.999 . . . . 0.0 109.45 178.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 84.0 mt -96.9 -18.86 19.23 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.4 164.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' X' ' 12' ' ' TRP . 51.1 m -72.9 -35.13 67.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.418 0.687 . . . . 0.0 109.657 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.64 HD21 ' HA ' ' X' ' 13' ' ' ALA . 2.8 pp -79.6 -14.13 59.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.944 ' HA ' ' HG2' ' X' ' 20' ' ' GLN . . . -85.07 -22.87 28.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -76.28 -8.33 56.85 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.808 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.85 -28.21 12.55 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.358 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.944 ' HG2' ' HA ' ' X' ' 17' ' ' ALA . 10.2 pt20 -79.21 -38.99 34.4 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.583 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 79.5 mt -92.22 52.81 2.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.127 0.965 . . . . 0.0 109.637 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -168.89 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.451 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -96.5 17.65 15.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.061 0.458 . . . . 0.0 110.9 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' X' ' 20' ' ' GLN . 31.5 mmtp -92.68 -53.2 4.28 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 172.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--O 1.252 1.233 0 O-C-N 124.034 0.834 . . . . 0.0 111.193 174.29 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.604 0.24 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' X' ' 4' ' ' HIS . 39.3 mmtm -88.61 76.04 8.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.12 -0.362 . . . . 0.0 111.922 -172.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 69.1 -28.09 0.16 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . 0.449 ' H ' ' C ' ' X' ' 2' ' ' LYS . 38.8 m-70 -76.7 -5.95 50.11 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.733 0.301 . . . . 0.0 111.101 -179.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.598 HG22 ' H ' ' X' ' 6' ' ' ALA . 0.9 OUTLIER -61.49 -96.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.496 170.225 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.598 ' H ' HG22 ' X' ' 5' ' ' THR . . . 68.94 -49.94 0.59 Allowed 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.26 1.024 . . . . 0.0 113.358 172.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -64.42 -29.84 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.507 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.4 t80 -91.06 99.92 12.86 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 122.108 0.956 . . . . 0.0 110.835 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.755 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -158.83 -39.18 0.06 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.796 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.755 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 3.7 mtp180 -46.28 -66.61 0.38 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 111.141 -2.754 . . . . 0.0 111.142 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.507 ' HB2' ' HE1' ' X' ' 8' ' ' TYR . 97.6 mt -73.88 -12.57 60.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.616 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 4.4 t90 -76.28 -44.47 36.97 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.037 0.446 . . . . 0.0 110.647 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.662 ' HA ' HD22 ' X' ' 16' ' ' LEU . . . -70.78 -7.25 43.74 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.66 0.743 . . . . 0.0 109.277 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.564 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 78.8 mt -98.33 -19.58 17.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.283 169.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 66.1 m -72.97 -44.88 60.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.662 HD22 ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -74.11 -20.52 60.22 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -88.81 -5.81 57.8 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.181 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' X' ' 15' ' ' SER . 27.5 m170 -69.73 -5.27 24.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 163.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.86 10.73 8.94 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.514 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 31.4 mm-40 -113.81 -55.6 2.49 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.42 36.53 0.84 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.709 1.242 . . . . 0.0 109.451 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' SER . . . . . 0.44 ' H ' ' C ' ' X' ' 20' ' ' GLN . 44.2 m -158.22 18.26 0.23 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.666 -2.061 . . . . 0.0 109.222 176.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 39.0 t -122.37 -64.93 1.15 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.575 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -77.52 -48.88 15.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.038 0.446 . . . . 0.0 110.326 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.945 -178.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.593 ' HZ3' ' HB3' ' X' ' 2' ' ' LYS . 0.4 OUTLIER -140.72 166.0 25.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.275 -179.005 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 6.3 p -76.81 62.29 2.02 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -141.07 -53.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 0.0 108.987 171.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t -107.43 -126.22 0.25 Allowed 'General case' 0 N--CA 1.435 -1.177 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.497 ' C ' ' H ' ' X' ' 8' ' ' TYR . . . -170.6 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' X' ' 6' ' ' ALA . 52.4 m 68.01 -14.14 0.25 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.238 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.575 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -94.14 64.71 3.31 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -172.615 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.631 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.6 mt -145.25 -48.47 0.23 Allowed 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 168.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -44.55 -54.05 6.45 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.158 156.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 98.2 mt -69.95 -26.8 64.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.443 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.631 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 11.2 t90 -66.05 -42.41 89.54 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 118.5 -1.28 . . . . 0.0 111.288 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 2.02 7.74 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.066 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.636 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 74.7 mt -101.59 -16.86 16.61 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.325 165.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.537 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 48.2 m -79.45 -35.05 41.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.758 0.823 . . . . 0.0 108.926 171.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 36.9 tp -69.34 -31.27 69.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.52 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -82.09 -10.21 59.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.752 177.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.537 ' HB2' ' O ' ' X' ' 15' ' ' SER . 25.3 m170 -68.78 -11.39 60.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.37 7.57 9.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.551 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -113.23 -37.5 4.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.841 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -89.82 59.58 4.67 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.922 0.867 . . . . 0.0 109.912 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -175.46 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.749 -1.568 . . . . 0.0 108.392 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 17.2 t -80.71 94.87 6.45 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.935 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 53.01 82.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.928 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . 0.869 ' HA ' ' HE2' ' X' ' 25' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.311 -1.067 0 CA-C-O 118.652 -0.689 . . . . 0.0 109.464 177.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -146.48 10.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.514 -175.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -98.32 -50.5 4.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.12 0.486 . . . . 0.0 110.522 -177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -111.27 -26.1 9.34 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.938 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -110.59 -123.67 0.27 Allowed 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.363 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.02 -71.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.241 1.016 . . . . 0.0 111.024 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 35.8 p -131.84 -25.17 2.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.219 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.714 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.15 61.45 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -169.77 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.593 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 60.4 mt -148.06 -43.41 0.16 Allowed 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 165.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -49.25 53.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.133 -2.303 . . . . 0.0 107.743 157.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.714 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 97.6 mt -73.17 -21.09 60.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.235 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.66 ' HA ' ' HB2' ' X' ' 15' ' ' SER . 11.9 t90 -67.57 -41.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.863 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.439 ' O ' ' HB1' ' X' ' 17' ' ' ALA . . . -74.66 6.91 3.4 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.26 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.573 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 33.9 mt -119.92 4.59 10.95 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.722 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.66 ' HB2' ' HA ' ' X' ' 12' ' ' TRP . 25.0 t -83.54 -39.27 20.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 108.96 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' X' ' 22' ' ' SER . 0.5 OUTLIER -96.34 -24.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.249 172.137 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.474 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -96.02 9.65 40.08 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.977 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.573 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.1 p80 -60.77 -22.81 64.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.07 7.89 2.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.291 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.54 ' HB2' ' HB3' ' X' ' 23' ' ' SER . 15.6 pt20 38.62 38.86 0.28 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.108 0.963 . . . . 0.0 112.588 -175.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.28 49.47 1.43 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.698 0.761 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' SER . . . . . 0.617 ' HB2' HD13 ' X' ' 16' ' ' LEU . 4.0 m 167.23 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.149 -1.841 . . . . 0.0 107.778 -172.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.54 ' HB3' ' HB2' ' X' ' 20' ' ' GLN . 9.4 t -82.84 36.88 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 -175.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -91.85 -12.87 32.43 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 165.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . 0.625 ' HZ2' ' HB3' ' X' ' 25' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.995 176.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -119.34 -32.6 4.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -169.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -82.64 -32.04 28.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.176 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -89.65 -22.18 22.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.543 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 11.8 p -80.25 -80.99 0.13 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.397 0.618 . . . . 0.0 112.303 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.67 -54.05 50.94 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.568 -175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 66.4 m 53.29 37.32 24.99 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.422 0.63 . . . . 0.0 110.446 -176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER -157.91 61.11 0.47 Allowed 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -177.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.886 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -143.28 -36.59 0.37 Allowed 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.48 1.133 . . . . 0.0 109.126 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.46 -48.35 5.21 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.335 -2.211 . . . . 0.0 109.229 161.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.459 HD22 HD12 ' X' ' 14' ' ' LEU . 62.9 mt -88.97 -23.95 22.53 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.477 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.886 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.3 t90 -64.9 -41.78 95.3 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.573 0.624 . . . . 0.0 111.366 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.617 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.44 -5.14 30.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.214 0.531 . . . . 0.0 110.044 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.459 HD12 HD22 ' X' ' 11' ' ' LEU . 75.0 mt -104.74 -14.31 15.6 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.277 169.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 65.7 m -76.55 -44.43 34.82 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.617 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -72.42 -21.21 61.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.235 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.431 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.83 -5.03 51.93 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.047 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' X' ' 15' ' ' SER . 12.9 m170 -66.38 -13.86 61.26 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 164.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.42 -4.5 18.46 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.887 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.501 ' HA ' ' HG ' ' X' ' 23' ' ' SER . 15.8 mm100 -92.3 -37.32 12.71 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.34 55.66 3.12 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.3 1.048 . . . . 0.0 109.283 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -171.95 -29.43 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.362 -1.745 . . . . 0.0 108.825 -173.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.501 ' HG ' ' HA ' ' X' ' 20' ' ' GLN . 12.9 p -70.71 142.18 51.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.559 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' X' ' 24' ' ' LYS . 11.6 mptt -80.61 68.81 6.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 111.105 -174.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.248 0.994 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.33 173.525 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -136.12 60.82 1.66 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.025 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t 55.74 35.96 26.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.515 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 p80 38.34 79.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.557 1.17 . . . . 0.0 112.47 -173.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -89.8 -112.98 0.07 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.179 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.677 ' HB3' ' HB2' ' X' ' 9' ' ' LEU . . . -170.64 124.53 0.68 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -44.53 -51.47 8.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.123 0.889 . . . . 0.0 112.244 -170.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.558 ' O ' HD21 ' X' ' 9' ' ' LEU . 0.8 OUTLIER -114.34 42.08 2.16 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.278 0.561 . . . . 0.0 111.211 -178.338 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.745 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 58.0 mt -135.92 -19.34 1.55 Allowed 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.352 1.072 . . . . 0.0 109.558 171.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -56.4 3.06 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.17 157.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.6 HD21 HD11 ' X' ' 14' ' ' LEU . 93.2 mt -82.92 -16.59 46.81 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.879 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.745 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 29.2 t90 -63.97 -46.52 84.29 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.821 170.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.914 ' HA ' HD22 ' X' ' 16' ' ' LEU . . . -76.62 14.29 0.83 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.69 0.757 . . . . 0.0 109.991 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.773 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 38.1 mt -124.41 -17.45 6.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.024 169.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.462 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 68.7 m -83.48 -36.58 24.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.914 HD22 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -74.48 -28.21 60.91 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 169.391 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.773 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -85.82 1.1 51.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.536 175.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' X' ' 15' ' ' SER . 22.3 m170 -73.47 -0.45 15.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.03 0.919 . . . . 0.0 108.525 166.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.63 9.86 5.54 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.156 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.639 ' HA ' HE21 ' X' ' 20' ' ' GLN . 0.0 OUTLIER -114.71 -47.32 2.9 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 174.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 29.5 mt -102.46 32.48 3.55 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.256 1.026 . . . . 0.0 109.45 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -162.31 17.72 0.09 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.799 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -91.99 -74.8 0.5 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -148.48 22.95 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.242 -1.345 . . . . 0.0 108.477 -170.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 60.7 pttt . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.641 0.258 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -139.13 145.9 39.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.008 0.433 . . . . 0.0 110.496 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -76.55 20.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.325 -167.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -98.83 -16.21 18.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.884 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 6.2 p 63.52 125.09 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.575 1.15 . . . . 0.0 114.075 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.46 -47.36 4.12 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.362 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m 60.83 10.54 2.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.951 -1.022 . . . . 0.0 113.312 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.441 ' HD1' ' C ' ' X' ' 8' ' ' TYR . 0.9 OUTLIER -97.02 67.99 2.26 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.919 0.39 . . . . 0.0 111.843 -173.394 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.71 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -147.39 -42.38 0.17 Allowed 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 122.548 1.166 . . . . 0.0 108.858 170.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.36 -47.47 6.8 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.49 -2.141 . . . . 0.0 109.226 160.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.24 -26.76 35.58 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.95 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.71 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.7 t90 -63.14 -40.32 97.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.378 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.641 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -75.32 4.36 7.31 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.999 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -112.56 -5.28 14.03 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.757 166.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.7 m -83.83 -37.03 23.02 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.802 HD12 ' HB3' ' X' ' 22' ' ' SER . 0.5 OUTLIER -88.56 -27.57 21.3 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 172.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.53 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.99 11.09 28.64 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -55.89 -28.09 55.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 166.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.45 4.2 1.76 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.99 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.47 ' HB3' ' HB3' ' X' ' 23' ' ' SER . 79.4 mt-30 53.89 26.31 6.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.595 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 95.7 mt -84.62 57.75 4.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.824 0.821 . . . . 0.0 110.488 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' SER . . . . . 0.802 ' HB3' HD12 ' X' ' 16' ' ' LEU . 48.4 t 166.72 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.304 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' X' ' 20' ' ' GLN . 23.0 t -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.212 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.68 ' HZ3' ' HB3' ' X' ' 24' ' ' LYS . 4.0 mmmp? 66.04 41.98 3.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.764 174.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.911 178.126 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -136.84 163.09 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.392 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -80.26 47.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 0.0 111.149 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -117.7 -46.82 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.619 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 20.8 p -135.76 116.65 14.15 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.909 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.54 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.15 -173.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.9 m -121.32 -18.06 7.46 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.865 0.364 . . . . 0.0 111.517 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER -83.15 62.78 6.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -174.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.758 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 63.9 mt -145.84 -39.61 0.23 Allowed 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.498 1.142 . . . . 0.0 108.617 166.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.449 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -46.53 -41.8 14.76 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.01 161.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.604 HD22 HD12 ' X' ' 14' ' ' LEU . 94.9 mt -87.13 -24.11 24.63 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.441 175.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.758 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 10.6 t90 -61.74 -44.18 97.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.912 173.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.937 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.88 15.6 0.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.305 0.574 . . . . 0.0 110.456 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.703 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 45.8 mt -123.53 -20.18 5.63 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.302 168.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 46.6 m -87.62 -32.39 19.31 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.937 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -79.24 -27.76 42.44 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 167.307 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.703 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -84.99 3.2 39.59 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.401 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' X' ' 15' ' ' SER . 15.3 m170 -68.81 -5.66 22.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.689 0.757 . . . . 0.0 109.098 168.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.91 12.25 5.2 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.026 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.605 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 64.1 tt0 -115.98 -23.86 8.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 86.3 mt -114.31 33.8 5.08 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 123.025 1.393 . . . . 0.0 108.807 170.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 52.4 m -155.46 19.05 0.41 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.625 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 51.8 p -96.75 -134.6 0.23 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -65.18 -28.75 69.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-N 114.247 -1.342 . . . . 0.0 108.054 167.468 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 42.2 tptt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.492 0.663 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' X' ' 4' ' ' HIS . 66.0 mttm -90.26 30.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.271 -174.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t 70.75 -42.58 0.53 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.3 0.64 . . . . 0.0 111.145 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . 0.454 ' H ' ' C ' ' X' ' 2' ' ' LYS . 26.4 m170 -63.79 -2.47 1.81 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.765 0.826 . . . . 0.0 112.534 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.79 -18.51 65.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.591 0.71 . . . . 0.0 110.431 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' X' ' 7' ' ' SER . . . -161.57 -54.12 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.518 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.439 ' OG ' ' HA ' ' X' ' 4' ' ' HIS . 49.3 m 77.64 -34.9 0.2 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.386 1.074 . . . . 0.0 112.65 171.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.477 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER -111.85 66.51 0.64 Allowed 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.436 -173.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.748 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 64.5 mt -144.09 -40.1 0.28 Allowed 'General case' 0 CA--C 1.485 -1.532 0 CA-C-O 122.373 1.082 . . . . 0.0 109.502 175.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.4 -52.71 12.44 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.504 -2.135 . . . . 0.0 108.65 163.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.25 -22.85 28.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.71 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.748 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 2.1 t90 -69.25 -35.3 75.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 118.516 -1.273 . . . . 0.0 110.916 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.555 ' HA ' HD22 ' X' ' 16' ' ' LEU . . . -71.48 -0.38 10.32 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.523 0.678 . . . . 0.0 109.632 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.527 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 33.3 mt -112.75 -5.44 13.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.716 166.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.602 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 31.9 t -85.72 -41.82 14.78 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.111 0.964 . . . . 0.0 109.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -76.97 -22.64 52.91 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 171.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.527 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -91.88 2.37 56.57 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.375 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.602 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.5 m170 -60.38 -20.1 58.31 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.533 168.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.54 5.85 11.08 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.731 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.511 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 15.8 mm100 -100.8 -39.86 7.6 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.79 53.2 2.69 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.842 0.83 . . . . 0.0 109.853 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 61.0 m -171.99 -29.6 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.597 -172.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' X' ' 24' ' ' LYS . 41.6 p -79.81 -15.59 57.14 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.416 -174.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' X' ' 23' ' ' SER . 35.6 mmtp 69.32 14.94 8.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.55 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.285 -176.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.497 0.189 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -116.03 74.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m 67.48 -56.96 0.45 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 168.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -67.65 -3.71 9.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -170.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.617 HG21 ' H ' ' X' ' 6' ' ' ALA . 0.5 OUTLIER -54.99 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 112.37 177.43 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.617 ' H ' HG21 ' X' ' 5' ' ' THR . . . -137.05 31.56 2.68 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.276 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 10.7 t -111.03 7.72 21.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.425 0.631 . . . . 0.0 110.93 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -89.24 61.63 5.81 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 47.5 mt -146.89 -45.26 0.18 Allowed 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -45.59 -48.57 14.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 112.286 -2.233 . . . . 0.0 108.473 158.549 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.71 -26.95 58.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.64 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.62 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.0 t90 -57.96 -46.16 85.55 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 110.963 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 1.15 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -73.99 8.36 2.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.49 ' C ' ' HB3' ' X' ' 18' ' ' HIS . 34.5 mt -129.89 -6.1 4.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.433 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -117.13 -16.42 10.42 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.307 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.478 HD23 ' HD1' ' X' ' 12' ' ' TRP . 0.7 OUTLIER -148.52 -3.07 0.48 Allowed 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.209 169.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 1.15 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -108.81 6.25 25.35 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 167.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.694 ' HA ' HD12 ' X' ' 21' ' ' LEU . 0.7 OUTLIER -67.83 -14.19 62.76 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 113.053 -1.885 . . . . 0.0 106.31 162.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.15 -21.28 27.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.273 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.548 HE21 ' HB2' ' X' ' 17' ' ' ALA . 5.7 tt0 -76.35 -33.7 58.97 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' X' ' 18' ' ' HIS . 4.7 mt -81.95 49.3 1.35 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.169 0.985 . . . . 0.0 110.058 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -171.53 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.634 -1.621 . . . . 0.0 108.867 -173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -105.25 -19.93 13.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.1 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.66 ' HB3' ' HZ1' ' X' ' 24' ' ' LYS . 5.3 mmmp? -100.87 28.94 4.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.832 0.349 . . . . 0.0 111.668 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.846 177.256 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.42 162.37 26.5 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -82.28 8.95 9.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.256 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -100.14 11.94 38.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.136 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 24.0 p -54.54 -46.49 73.6 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.152 0.977 . . . . 0.0 110.292 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.22 21.56 12.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.654 166.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -128.61 -72.01 0.62 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.557 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.48 65.21 9.07 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.634 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.4 mt -147.8 -44.68 0.16 Allowed 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 163.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.408 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -47.72 -50.5 24.99 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 112.249 -2.25 . . . . 0.0 108.251 158.703 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 86.5 mt -70.5 -28.18 64.77 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.479 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.634 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.5 t90 -64.5 -47.12 80.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.7 0.682 . . . . 0.0 111.773 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.816 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -69.88 -10.32 58.08 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.563 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 92.3 mt -93.88 -20.91 19.61 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.186 170.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 56.2 m -73.17 -36.2 66.57 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.816 HD21 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -79.55 -24.01 42.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.307 173.227 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.563 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -83.74 -12.73 55.38 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.928 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.17 -16.0 63.04 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.06 -2.47 25.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.274 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -90.57 -46.85 8.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.67 58.68 2.32 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 122.215 1.007 . . . . 0.0 109.587 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 63.8 m -172.58 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.161 -1.836 . . . . 0.0 107.368 -175.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.568 ' C ' ' H ' ' X' ' 25' ' ' LYS . 38.9 t -74.28 -33.45 63.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' X' ' 23' ' ' SER . 14.1 mptt 71.67 -28.74 0.19 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.67 0.606 . . . . 0.0 110.621 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . 0.568 ' H ' ' C ' ' X' ' 23' ' ' SER . 34.1 mmtp . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.092 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.506 0.193 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.429 ' O ' HG23 ' X' ' 5' ' ' THR . 96.9 mttt -132.7 143.79 49.87 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.73 48.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -171.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -126.52 -17.41 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.535 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.596 HG22 ' H ' ' X' ' 6' ' ' ALA . 1.3 t -84.41 -101.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.403 0.62 . . . . 0.0 112.087 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.596 ' H ' HG22 ' X' ' 5' ' ' THR . . . -78.48 36.74 0.26 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.24 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 47.7 m -109.83 -47.64 3.32 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.834 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.438 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.5 t80 -100.24 103.2 14.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 122.049 0.928 . . . . 0.0 110.748 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.741 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -164.63 -37.34 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 123.536 1.636 . . . . 0.0 107.779 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.741 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 2.1 mtp180 -48.31 -62.51 1.45 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 111.054 -2.793 . . . . 0.0 111.148 175.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.697 HD21 HD11 ' X' ' 14' ' ' LEU . 79.0 mt -76.78 -13.07 60.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.655 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.9 t90 -72.83 -40.91 65.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.959 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -75.26 0.13 17.62 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.61 0.719 . . . . 0.0 109.587 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.697 HD11 HD21 ' X' ' 11' ' ' LEU . 77.8 mt -105.54 -17.12 14.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.4 168.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 67.1 m -79.04 -38.64 36.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.959 HD21 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -72.62 -25.66 61.39 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 169.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -86.67 1.38 52.16 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.21 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' X' ' 15' ' ' SER . 47.1 m170 -66.7 -10.91 51.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 164.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.23 -17.68 14.38 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.622 174.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.48 ' HG3' ' HA ' ' X' ' 17' ' ' ALA . 42.4 mt-30 -86.99 -38.66 16.39 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.54 ' HA ' ' HB2' ' X' ' 25' ' ' LYS . 60.1 mt -81.15 56.32 2.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 122.334 1.064 . . . . 0.0 108.92 172.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 57.8 m -171.63 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 112.799 -2.0 . . . . 0.0 107.518 -174.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 14.3 t -81.02 59.04 3.66 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.448 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' X' ' 24' ' ' LYS . 62.5 mmtt 66.12 45.38 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.698 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . 0.54 ' HB2' ' HA ' ' X' ' 21' ' ' LEU . 62.1 mttp . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.339 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.755 0.312 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' X' ' 5' ' ' THR . 17.9 ptpt -146.99 18.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -101.95 -52.82 3.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.228 0.537 . . . . 0.0 109.885 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -102.99 -5.4 23.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.43 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' X' ' 2' ' ' LYS . 2.0 t -148.35 163.78 36.07 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.477 0.656 . . . . 0.0 110.411 176.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.54 -6.69 20.34 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.249 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 15.7 t 65.5 1.81 1.81 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.536 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -88.55 58.66 4.78 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 121.755 -0.591 . . . . 0.0 111.972 -172.083 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.717 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 65.5 mt -143.59 -42.67 0.28 Allowed 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 165.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -45.32 37.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 111.984 -2.371 . . . . 0.0 108.64 158.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 95.7 mt -77.74 -31.05 51.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.214 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.717 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.6 t90 -60.56 -43.8 96.86 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.6 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.939 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.47 -3.32 23.67 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.068 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.47 HD12 HD21 ' X' ' 11' ' ' LEU . 87.0 mt -99.42 -23.22 15.2 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.019 168.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 60.6 m -76.38 -36.71 57.99 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.939 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -77.08 -28.71 54.69 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.723 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' X' ' 20' ' ' GLN . . . -84.57 -6.53 59.37 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.248 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' X' ' 15' ' ' SER . 20.0 m170 -57.35 -19.64 24.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.45 17.19 3.15 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.664 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 2.3 pt20 -102.97 -30.73 10.61 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.418 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.66 56.23 3.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.836 0.827 . . . . 0.0 110.152 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p 175.77 -29.81 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.688 -1.596 . . . . 0.0 109.982 -174.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -114.64 69.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.853 -171.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -152.18 -67.78 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.187 172.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' X' ' 25' ' ' LYS . 10.2 ttpp . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.015 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.201 0.524 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -156.74 18.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p -140.54 -92.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.341 . . . . 0.0 111.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -101.48 34.39 2.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.489 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.5 OUTLIER -68.09 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.659 172.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.489 ' H ' HG23 ' X' ' 5' ' ' THR . . . -139.82 -54.08 0.54 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.976 174.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 37.6 t 74.79 -24.57 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.444 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.501 ' O ' HD21 ' X' ' 9' ' ' LEU . 0.8 OUTLIER -116.68 55.72 0.81 Allowed 'General case' 0 C--N 1.313 -1.006 0 O-C-N 121.671 -0.643 . . . . 0.0 110.695 -175.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.827 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 84.1 mt -137.9 -33.49 0.7 Allowed 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 122.27 1.033 . . . . 0.0 109.909 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.56 -43.98 17.59 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 112.997 -1.911 . . . . 0.0 108.58 160.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.416 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 98.8 mt -90.01 -21.11 22.54 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.285 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.827 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.8 t90 -66.09 -38.99 89.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.064 -1.055 . . . . 0.0 111.257 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.537 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -70.88 0.75 6.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.715 0.769 . . . . 0.0 109.72 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 38.3 mt -110.44 -7.17 14.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.923 166.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.587 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 70.4 m -83.61 -40.32 19.19 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.669 0.788 . . . . 0.0 109.66 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.537 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -82.3 -13.64 56.64 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.312 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -99.23 4.41 46.65 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.587 ' HB2' ' O ' ' X' ' 15' ' ' SER . 5.8 m170 -62.5 -17.23 59.19 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 167.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.882 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.406 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 49.9 mt-30 -115.29 -5.61 12.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.699 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt -117.02 57.6 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.595 0.712 . . . . 0.0 109.544 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m 170.97 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.498 -1.683 . . . . 0.0 108.326 -172.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' X' ' 24' ' ' LYS . 22.7 t -132.17 146.24 51.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.498 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.967 ' HA ' ' HE2' ' X' ' 24' ' ' LYS . 9.1 mmpt? 75.04 -16.0 0.61 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.801 0.688 . . . . 0.0 112.164 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.843 -0.599 . . . . 0.0 112.06 174.451 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.782 0.325 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -164.39 34.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -123.81 -29.76 3.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.466 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . 0.482 ' HA ' ' HB3' ' X' ' 7' ' ' SER . 21.4 m170 -122.44 15.79 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.302 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.748 HG21 ' H ' ' X' ' 6' ' ' ALA . 0.6 OUTLIER -59.83 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.987 0.899 . . . . 0.0 111.661 174.547 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.748 ' H ' HG21 ' X' ' 5' ' ' THR . . . -102.54 38.98 1.59 Allowed 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.725 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.482 ' HB3' ' HA ' ' X' ' 4' ' ' HIS . 4.0 p -50.88 -48.54 60.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.488 ' O ' HD22 ' X' ' 9' ' ' LEU . 1.0 OUTLIER -109.46 51.52 0.75 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.384 0.611 . . . . 0.0 109.752 173.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.766 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 57.1 mt -138.75 -29.45 0.79 Allowed 'General case' 0 CA--C 1.491 -1.318 0 CA-C-O 122.264 1.031 . . . . 0.0 109.29 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' X' ' 6' ' ' ALA . 0.0 OUTLIER -45.5 -55.11 6.56 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.735 -2.03 . . . . 0.0 107.984 157.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 96.9 mt -76.93 -23.78 52.45 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.298 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.766 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 17.1 t90 -67.74 -42.01 82.52 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.62 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.08 1.48 8.95 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.565 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.724 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 46.0 mt -110.82 -3.24 15.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.943 165.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 15' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 74.9 m -80.84 -43.33 20.15 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 123.501 0.72 . . . . 0.0 109.702 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -78.72 -21.84 47.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.724 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -91.91 2.45 56.53 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.492 177.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.0 m170 -62.22 -18.86 62.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 167.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.69 6.81 21.92 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.777 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.418 ' H ' ' C ' ' X' ' 17' ' ' ALA . 90.3 mt-30 -108.66 -24.11 11.49 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.086 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 65.3 mt -76.75 61.41 1.86 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.571 0.7 . . . . 0.0 109.754 174.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 39.7 t 169.07 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.911 -171.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -105.47 -75.84 0.62 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.318 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.34 -37.09 20.31 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.113 0.482 . . . . 0.0 111.475 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.942 -179.387 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.872 ' HA ' ' HE2' ' X' ' 2' ' ' LYS . 10.2 mmpt? -98.75 139.13 34.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -59.34 -22.55 61.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -9.19 57.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -57.0 -45.81 82.74 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.448 0.642 . . . . 0.0 112.079 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 72.06 -68.29 0.23 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.727 -1.579 . . . . 0.0 112.425 171.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 17.7 m -134.21 -19.61 1.95 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.942 0.401 . . . . 0.0 111.474 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.474 ' HD1' ' C ' ' X' ' 8' ' ' TYR . 0.9 OUTLIER -86.1 71.94 10.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.134 -172.206 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.601 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 24.5 mt -150.41 -41.64 0.13 Allowed 'General case' 0 CA--C 1.493 -1.23 0 CA-C-O 122.822 1.296 . . . . 0.0 107.955 168.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -49.39 -48.64 46.86 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.053 -2.34 . . . . 0.0 108.714 162.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.578 ' HA ' HD11 ' X' ' 14' ' ' LEU . 32.3 tp -77.06 -24.41 51.96 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.712 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.601 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 14.6 t90 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.818 -0.551 . . . . 0.0 111.211 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 1.032 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . . . -79.09 12.54 2.2 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.711 0.767 . . . . 0.0 109.695 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.578 HD11 ' HA ' ' X' ' 11' ' ' LEU . 52.3 mt -115.87 -9.47 11.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.032 166.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -84.2 -75.1 0.35 Allowed 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.661 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.0 -12.47 13.23 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.268 0.556 . . . . 0.0 110.127 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 1.032 ' HB2' ' HA ' ' X' ' 13' ' ' ALA . . . -99.62 13.12 34.63 Favored 'General case' 0 CA--C 1.483 -1.602 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 176.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.522 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 8.6 p80 -58.48 -23.09 56.91 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 112.576 -2.102 . . . . 0.0 107.104 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.16 7.55 2.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.662 -1.153 . . . . 0.0 112.749 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 55.6 37.31 28.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.796 0.808 . . . . 0.0 109.889 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.736 ' O ' ' HB2' ' X' ' 22' ' ' SER . 86.6 mt -107.1 105.47 15.49 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 22' ' ' SER . . . . . 0.736 ' HB2' ' O ' ' X' ' 21' ' ' LEU . 15.3 m 86.43 -9.6 0.69 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 125.412 1.695 . . . . 0.0 110.637 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -71.76 120.39 17.28 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 72.62 3.36 4.66 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.745 0.818 . . . . 0.0 111.909 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' X' ' 22' ' ' SER . 23.3 ttmm . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.531 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' X' ' 3' ' ' SER . 60.6 pttt -163.51 -43.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 3' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' X' ' 2' ' ' LYS . 9.5 t -61.25 -28.43 69.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -164.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -106.78 -16.89 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.86 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -109.96 -85.12 0.55 Allowed 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' X' ' 10' ' ' ARG . . . -52.3 -48.81 65.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.309 -173.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 7' ' ' SER . . . . . 0.455 ' HA ' ' HE ' ' X' ' 10' ' ' ARG . 24.7 m -58.64 -24.75 61.77 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -175.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.559 ' O ' ' HD1' ' X' ' 8' ' ' TYR . 0.8 OUTLIER -93.54 -34.43 13.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.182 0.515 . . . . 0.0 111.582 -175.12 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.728 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 17.3 mt -99.49 -22.82 15.33 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 122.547 1.165 . . . . 0.0 110.049 -162.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' X' ' 6' ' ' ALA . 0.0 OUTLIER -40.34 -52.86 2.66 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 112.109 -2.314 . . . . 0.0 109.837 157.293 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 98.3 mt -85.63 -28.61 24.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.139 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.728 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 22.4 t90 -65.42 -46.55 79.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.189 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -72.19 -5.59 36.77 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.012 0.434 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.819 ' HA ' ' HB2' ' X' ' 17' ' ' ALA . 96.0 mt -98.08 -16.31 19.63 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.122 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -67.47 -48.15 68.01 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.427 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' X' ' 20' ' ' GLN . 0.6 OUTLIER -81.01 -8.04 59.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.738 174.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.819 ' HB2' ' HA ' ' X' ' 14' ' ' LEU . . . -90.85 -17.7 26.08 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -70.58 -11.17 60.76 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 167.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.564 ' O ' ' HB3' ' X' ' 23' ' ' SER . . . -100.04 -2.14 35.14 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.564 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.8 ' HA ' ' HB3' ' X' ' 24' ' ' LYS . 77.3 mt-30 -103.5 -58.12 1.93 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.194 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' X' ' 22' ' ' SER . 87.7 mt -75.53 63.67 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.387 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 22' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' X' ' 21' ' ' LEU . 0.2 OUTLIER 168.07 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.976 -174.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.564 ' HB3' ' O ' ' X' ' 19' ' ' ALA . 36.1 t -138.96 -73.99 0.38 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.51 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . 0.8 ' HB3' ' HA ' ' X' ' 20' ' ' GLN . 22.3 tptm -63.33 -43.87 96.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.819 0.448 . . . . 0.0 112.086 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt . . . . . 0 C--O 1.251 1.168 0 O-C-N 123.521 0.513 . . . . 0.0 111.655 -174.606 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.568 0.223 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.635 ' O ' HG22 ' X' ' 5' ' ' THR . 97.1 mttt -138.18 -145.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.054 -177.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -68.79 -2.25 9.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . 0.414 ' HA ' ' HB2' ' X' ' 8' ' ' TYR . 30.5 m-70 -82.7 8.64 11.55 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.635 HG22 ' O ' ' X' ' 2' ' ' LYS . 2.5 t -94.58 -107.74 0.13 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 173.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.584 ' H ' HG21 ' X' ' 5' ' ' THR . . . -61.39 -34.04 74.68 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.21 0.604 . . . . 0.0 112.492 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -79.5 3.48 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.269 0.557 . . . . 0.0 111.713 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.472 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER -112.43 58.6 0.64 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.165 0.507 . . . . 0.0 109.722 178.669 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 39.2 mt -140.44 -28.61 0.71 Allowed 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 122.228 1.013 . . . . 0.0 109.832 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.03 9.63 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 112.957 -1.929 . . . . 0.0 108.552 159.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.441 ' HB2' ' CE1' ' X' ' 8' ' ' TYR . 56.1 mt -86.97 -17.53 32.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.917 -1.492 . . . . 0.0 110.284 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.743 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 23.5 t90 -58.66 -46.65 86.72 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.57 170.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.615 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . . . -74.33 13.11 0.62 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.617 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 19.4 mt -127.19 -27.36 2.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.349 171.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 36.0 t -99.38 -34.67 10.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -172.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.671 HD21 ' HE1' ' X' ' 12' ' ' TRP . 61.5 tp -113.99 -23.58 9.5 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.231 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.615 ' HB1' ' HA ' ' X' ' 13' ' ' ALA . . . -89.86 8.41 32.23 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.73 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . 0.687 ' HA ' HD13 ' X' ' 21' ' ' LEU . 1.0 OUTLIER -57.86 -26.06 61.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.82 -3.45 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.929 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.535 ' HB2' ' HB3' ' X' ' 17' ' ' ALA . 27.7 mt-30 -101.26 2.18 39.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.787 0.803 . . . . 0.0 109.049 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . 0.687 HD13 ' HA ' ' X' ' 18' ' ' HIS . 12.7 mt -95.19 13.41 25.5 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 122.59 1.186 . . . . 0.0 108.96 173.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 22' ' ' SER . . . . . 0.432 ' HG ' ' C ' ' X' ' 21' ' ' LEU . 49.6 m -162.3 16.61 0.09 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.839 -1.982 . . . . 0.0 109.982 178.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.436 ' HB3' ' HA ' ' X' ' 20' ' ' GLN . 5.7 p -70.26 82.16 0.54 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.966 0.413 . . . . 0.0 111.874 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.03 27.02 15.82 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.177 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.81 -179.317 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 121.141 0.496 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -122.51 34.73 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m 70.55 -66.13 0.3 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.38 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.57 24.2 12.74 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -170.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -89.63 -87.35 0.18 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.074 0.464 . . . . 0.0 111.521 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.5 110.73 1.17 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.14 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 34.7 t -126.8 -31.75 2.64 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER -82.56 66.31 8.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.687 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.729 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 41.9 mt -148.99 -37.11 0.17 Allowed 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 122.391 1.091 . . . . 0.0 108.76 169.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.436 ' NH2' HD13 ' X' ' 9' ' ' LEU . 0.0 OUTLIER -49.92 -45.13 50.7 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 112.674 -2.057 . . . . 0.0 109.072 162.492 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.524 HD22 HD11 ' X' ' 14' ' ' LEU . 36.4 mt -81.09 -30.25 34.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.688 175.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.729 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.2 t90 -66.71 -39.49 88.06 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.554 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.92 ' HA ' HD21 ' X' ' 16' ' ' LEU . . . -74.59 3.3 7.98 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.006 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.541 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 73.8 mt -102.87 -21.22 14.04 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.175 163.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 39.3 t -73.21 -44.62 59.41 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.802 0.841 . . . . 0.0 109.048 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.92 HD21 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -73.1 -25.85 61.02 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.554 ' HA ' ' HB3' ' X' ' 20' ' ' GLN . . . -87.0 -3.94 59.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.719 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -64.21 -12.44 40.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 166.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' X' ' 23' ' ' SER . . . -117.15 1.74 12.54 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.818 174.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.554 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 32.6 tt0 -95.97 -41.61 8.69 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.66 34.66 0.89 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.553 1.168 . . . . 0.0 109.302 173.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 22' ' ' SER . . . . . 0.429 ' H ' ' C ' ' X' ' 20' ' ' GLN . 58.9 m -157.63 8.62 0.17 Allowed 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.721 -2.036 . . . . 0.0 110.374 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' X' ' 19' ' ' ALA . 41.6 t -80.62 -80.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.82 0.343 . . . . 0.0 110.12 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -84.31 -35.95 22.93 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.664 0.745 . . . . 0.0 109.001 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--O 1.252 1.215 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.393 177.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 2' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' X' ' 5' ' ' THR . 21.6 ptmt -158.27 24.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.471 . . . . 0.0 111.301 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -113.19 -51.44 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.955 0.407 . . . . 0.0 110.062 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -88.53 -25.1 22.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.197 0.523 . . . . 0.0 110.381 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' X' ' 2' ' ' LYS . 40.7 p -128.68 118.45 22.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 6' ' ' ALA . . . . . 0.64 ' HB1' HD13 ' X' ' 9' ' ' LEU . . . -62.31 -43.45 98.81 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.496 -175.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 72.5 m 62.19 1.22 0.67 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.14 35.17 0.25 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.39 0.614 . . . . 0.0 110.238 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 9' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 23.8 mt -142.04 -22.91 0.7 Allowed 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 122.71 1.243 . . . . 0.0 108.822 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 10' ' ' ARG . . . . . 0.582 ' HG2' ' N ' ' X' ' 11' ' ' LEU . 0.0 OUTLIER -57.9 -25.35 60.73 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 112.052 -2.34 . . . . 0.0 109.07 167.678 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.582 ' N ' ' HG2' ' X' ' 10' ' ' ARG . 63.3 mt -105.88 -25.68 12.04 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.881 174.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 12' ' ' TRP . . . . . 0.844 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.5 t90 -68.48 -41.86 79.51 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.421 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 13' ' ' ALA . . . . . 0.668 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.59 -6.65 45.59 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.315 0.578 . . . . 0.0 109.672 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.602 ' HA ' ' HB1' ' X' ' 17' ' ' ALA . 96.3 mt -97.76 -15.97 20.08 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.37 168.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -74.44 -41.64 60.5 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 16' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.8 OUTLIER -74.76 -20.55 59.77 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 17' ' ' ALA . . . . . 0.602 ' HB1' ' HA ' ' X' ' 14' ' ' LEU . . . -85.9 -12.02 51.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -73.98 -9.4 58.6 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.457 ' O ' ' HB3' ' X' ' 23' ' ' SER . . . -98.78 -3.66 35.12 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.493 173.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -106.59 -42.34 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.628 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.34 54.08 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.535 0.683 . . . . 0.0 110.209 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m 177.82 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.302 -172.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 23' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' X' ' 19' ' ' ALA . 35.3 p -65.9 -77.89 0.06 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -173.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -116.15 -8.85 11.73 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 -175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.42 -177.469 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.487 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.1 t80 . . . . . 0 N--CA 1.445 -0.702 0 CA-C-O 121.443 0.64 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.779 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.9 mt -139.75 -34.44 0.56 Allowed 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 122.266 1.032 . . . . 0.0 108.834 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -53.3 12.85 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.202 159.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.401 HD23 HD12 ' X' ' 14' ' ' LEU . 96.1 mt -81.9 -29.66 32.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.435 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.779 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 3.5 t90 -68.76 -34.13 75.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.157 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.636 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.52 -1.47 18.69 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.102 -0.999 . . . . 0.0 109.45 178.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 84.0 mt -96.9 -18.86 19.23 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.4 164.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' X' ' 12' ' ' TRP . 51.1 m -72.9 -35.13 67.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.418 0.687 . . . . 0.0 109.657 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 2.8 pp -79.6 -14.13 59.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.07 -22.87 28.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -76.28 -8.33 56.85 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.808 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.903 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.358 177.714 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.522 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.4 t80 . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 122.108 0.956 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.726 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -158.83 -39.18 0.06 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.796 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.726 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 3.7 mtp180 -46.28 -66.61 0.38 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 111.141 -2.754 . . . . 0.0 111.142 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.522 ' HB2' ' HE1' ' X' ' 8' ' ' TYR . 97.6 mt -73.88 -12.57 60.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.616 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.579 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 4.4 t90 -76.28 -44.47 36.97 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.037 0.446 . . . . 0.0 110.647 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.643 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -70.78 -7.25 43.74 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.66 0.743 . . . . 0.0 109.277 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 78.8 mt -98.33 -19.58 17.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.283 169.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 66.1 m -72.97 -44.88 60.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -74.11 -20.52 60.22 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.605 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -88.81 -5.81 57.8 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.181 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' X' ' 15' ' ' SER . 1.5 m-70 -69.73 -5.27 24.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 163.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.966 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.514 171.824 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.587 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.6 mt -145.25 -48.47 0.23 Allowed 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 168.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -44.55 -54.05 6.45 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.158 156.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 98.2 mt -69.95 -26.8 64.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.443 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.694 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 11.2 t90 -66.05 -42.41 89.54 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 118.5 -1.28 . . . . 0.0 111.288 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 2.02 7.74 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.066 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 74.7 mt -101.59 -16.86 16.61 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.325 165.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 48.2 m -79.45 -35.05 41.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.758 0.823 . . . . 0.0 108.926 171.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 36.9 tp -69.34 -31.27 69.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.52 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -82.09 -10.21 59.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.752 177.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' X' ' 15' ' ' SER . 25.3 m170 -68.78 -11.39 60.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.09 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.551 177.111 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.721 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 60.4 mt -148.06 -43.41 0.16 Allowed 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 165.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.47 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -50.25 -49.25 53.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.133 -2.303 . . . . 0.0 107.743 157.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.721 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 97.6 mt -73.17 -21.09 60.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.235 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.705 ' HA ' ' HB2' ' X' ' 15' ' ' SER . 11.9 t90 -67.57 -41.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.863 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.66 6.91 3.4 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.26 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 33.9 mt -119.92 4.59 10.95 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.722 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.705 ' HB2' ' HA ' ' X' ' 12' ' ' TRP . 25.0 t -83.54 -39.27 20.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 108.96 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' X' ' 17' ' ' ALA . 0.5 OUTLIER -96.34 -24.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.249 172.137 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' X' ' 13' ' ' ALA . . . -96.02 9.65 40.08 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.977 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.1 p80 -60.77 -22.81 64.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.291 176.358 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.984 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -143.28 -36.59 0.37 Allowed 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.48 1.133 . . . . 0.0 109.126 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.404 ' HD3' ' H ' ' X' ' 10' ' ' ARG . 0.1 OUTLIER -42.46 -48.35 5.21 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.335 -2.211 . . . . 0.0 109.229 161.356 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.454 HD23 HD12 ' X' ' 14' ' ' LEU . 62.9 mt -88.97 -23.95 22.53 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.477 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.984 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.3 t90 -64.9 -41.78 95.3 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.573 0.624 . . . . 0.0 111.366 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.44 -5.14 30.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.214 0.531 . . . . 0.0 110.044 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 75.0 mt -104.74 -14.31 15.6 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.277 169.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 65.7 m -76.55 -44.43 34.82 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -72.42 -21.21 61.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.235 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -92.83 -5.03 51.93 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.047 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' X' ' 15' ' ' SER . 0.6 OUTLIER -66.38 -13.86 61.26 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 164.47 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.122 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.887 174.228 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.522 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 121.278 0.561 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.847 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 58.0 mt -135.92 -19.34 1.55 Allowed 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.352 1.072 . . . . 0.0 109.558 171.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -56.4 3.06 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.17 157.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.621 HD23 HD12 ' X' ' 14' ' ' LEU . 93.2 mt -82.92 -16.59 46.81 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.879 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.847 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 29.2 t90 -63.97 -46.52 84.29 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.821 170.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.62 14.29 0.83 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.69 0.757 . . . . 0.0 109.991 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.848 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.1 mt -124.41 -17.45 6.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.024 169.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 68.7 m -83.48 -36.58 24.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -74.48 -28.21 60.91 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 169.391 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.848 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.82 1.1 51.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.536 175.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' X' ' 15' ' ' SER . 22.3 m170 -73.47 -0.45 15.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.03 0.919 . . . . 0.0 108.525 166.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.252 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.156 171.814 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.416 ' C ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 120.919 0.39 . . . . 0.0 111.843 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.792 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -147.39 -42.38 0.17 Allowed 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 122.548 1.166 . . . . 0.0 108.858 170.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.455 ' H ' ' HE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -43.36 -47.47 6.8 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.49 -2.141 . . . . 0.0 109.226 160.067 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.24 -26.76 35.58 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.95 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.792 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.7 t90 -63.14 -40.32 97.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.378 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.656 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -75.32 4.36 7.31 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.999 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -112.56 -5.28 14.03 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.757 166.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.7 m -83.83 -37.03 23.02 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.656 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.5 OUTLIER -88.56 -27.57 21.3 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 172.562 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.529 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.99 11.09 28.64 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -55.89 -28.09 55.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 166.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.99 177.673 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.82 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 63.9 mt -145.84 -39.61 0.23 Allowed 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.498 1.142 . . . . 0.0 108.617 166.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.526 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -46.53 -41.8 14.76 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.01 161.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.625 HD23 HD12 ' X' ' 14' ' ' LEU . 94.9 mt -87.13 -24.11 24.63 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.441 175.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.82 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 10.6 t90 -61.74 -44.18 97.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.912 173.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.88 15.6 0.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.305 0.574 . . . . 0.0 110.456 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.738 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 45.8 mt -123.53 -20.18 5.63 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.302 168.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 46.6 m -87.62 -32.39 19.31 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.918 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -79.24 -27.76 42.44 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 167.307 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.99 3.2 39.59 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.401 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' X' ' 15' ' ' SER . 15.3 m170 -68.81 -5.66 22.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.689 0.757 . . . . 0.0 109.098 168.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.113 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.026 172.39 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.432 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 120.584 0.23 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 64.5 mt -144.09 -40.1 0.28 Allowed 'General case' 0 CA--C 1.485 -1.532 0 CA-C-O 122.373 1.082 . . . . 0.0 109.502 175.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.4 -52.71 12.44 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.504 -2.135 . . . . 0.0 108.65 163.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.25 -22.85 28.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.71 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.787 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 2.1 t90 -69.25 -35.3 75.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 118.516 -1.273 . . . . 0.0 110.916 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.48 -0.38 10.32 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.523 0.678 . . . . 0.0 109.632 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 33.3 mt -112.75 -5.44 13.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.716 166.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.604 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 31.9 t -85.72 -41.82 14.78 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.111 0.964 . . . . 0.0 109.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -76.97 -22.64 52.91 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 171.547 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.88 2.37 56.57 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.375 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.5 m170 -60.38 -20.1 58.31 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.533 168.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.95 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.731 176.273 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.646 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 47.5 mt -146.89 -45.26 0.18 Allowed 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -45.59 -48.57 14.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 112.286 -2.233 . . . . 0.0 108.473 158.549 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.71 -26.95 58.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.64 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.646 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.0 t90 -57.96 -46.16 85.55 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 110.963 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 1.079 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -73.99 8.36 2.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 34.5 mt -129.89 -6.1 4.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.433 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -117.13 -16.42 10.42 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.307 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.513 HD21 ' HD1' ' X' ' 12' ' ' TRP . 0.7 OUTLIER -148.52 -3.07 0.48 Allowed 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.209 169.619 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 1.079 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -108.81 6.25 25.35 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 167.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 0.7 OUTLIER -67.83 -14.19 62.76 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 113.053 -1.885 . . . . 0.0 106.31 162.367 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.273 174.319 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.4 mt -147.8 -44.68 0.16 Allowed 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 163.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.485 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -47.72 -50.5 24.99 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 112.249 -2.25 . . . . 0.0 108.251 158.703 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 86.5 mt -70.5 -28.18 64.77 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.479 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.679 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.5 t90 -64.5 -47.12 80.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.7 0.682 . . . . 0.0 111.773 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.847 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -69.88 -10.32 58.08 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 92.3 mt -93.88 -20.91 19.61 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.186 170.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 56.2 m -73.17 -36.2 66.57 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.847 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -79.55 -24.01 42.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.307 173.227 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -83.74 -12.73 55.38 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.928 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.17 -16.0 63.04 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.274 176.861 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.451 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.5 t80 . . . . . 0 N--CA 1.442 -0.83 0 CA-C-O 122.049 0.928 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.713 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -164.63 -37.34 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 123.536 1.636 . . . . 0.0 107.779 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.713 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 2.1 mtp180 -48.31 -62.51 1.45 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 111.054 -2.793 . . . . 0.0 111.148 175.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.716 HD23 HD12 ' X' ' 14' ' ' LEU . 79.0 mt -76.78 -13.07 60.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.695 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.9 t90 -72.83 -40.91 65.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -75.26 0.13 17.62 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.61 0.719 . . . . 0.0 109.587 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.746 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 77.8 mt -105.54 -17.12 14.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.4 168.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 67.1 m -79.04 -38.64 36.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -72.62 -25.66 61.39 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 169.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -86.67 1.38 52.16 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.21 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' X' ' 15' ' ' SER . 47.1 m170 -66.7 -10.91 51.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 164.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.104 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.622 174.326 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 121.085 0.469 . . . . 0.0 111.972 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 65.5 mt -143.59 -42.67 0.28 Allowed 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 165.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.46 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -48.58 -45.32 37.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 111.984 -2.371 . . . . 0.0 108.64 158.459 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 95.7 mt -77.74 -31.05 51.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.214 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.78 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.6 t90 -60.56 -43.8 96.86 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.6 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.973 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.47 -3.32 23.67 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.068 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 87.0 mt -99.42 -23.22 15.2 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.019 168.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.487 ' HA ' ' ND1' ' X' ' 18' ' ' HIS . 60.6 m -76.38 -36.71 57.99 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.973 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -77.08 -28.71 54.69 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.723 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.57 -6.53 59.37 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.248 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.487 ' ND1' ' HA ' ' X' ' 15' ' ' SER . 20.0 m170 -57.35 -19.64 24.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.183 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.664 177.244 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.484 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.44 -0.931 0 CA-C-O 120.959 0.409 . . . . 0.0 110.695 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.939 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 84.1 mt -137.9 -33.49 0.7 Allowed 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 122.27 1.033 . . . . 0.0 109.909 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.56 -43.98 17.59 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 112.997 -1.911 . . . . 0.0 108.58 160.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 98.8 mt -90.01 -21.11 22.54 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.285 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.939 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.8 t90 -66.09 -38.99 89.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.064 -1.055 . . . . 0.0 111.257 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -70.88 0.75 6.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.715 0.769 . . . . 0.0 109.72 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.576 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.3 mt -110.44 -7.17 14.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.923 166.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 70.4 m -83.61 -40.32 19.19 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.669 0.788 . . . . 0.0 109.66 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -82.3 -13.64 56.64 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.312 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -99.23 4.41 46.65 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB2' ' O ' ' X' ' 15' ' ' SER . 5.8 m170 -62.5 -17.23 59.19 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 167.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.077 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.882 175.757 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.451 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.384 0.611 . . . . 0.0 109.752 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.876 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 57.1 mt -138.75 -29.45 0.79 Allowed 'General case' 0 CA--C 1.491 -1.318 0 CA-C-O 122.264 1.031 . . . . 0.0 109.29 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -55.11 6.56 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.735 -2.03 . . . . 0.0 107.984 157.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 96.9 mt -76.93 -23.78 52.45 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.298 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.876 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 17.1 t90 -67.74 -42.01 82.52 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.62 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.08 1.48 8.95 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.565 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.757 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 46.0 mt -110.82 -3.24 15.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.943 165.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 15' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' X' ' 12' ' ' TRP . 74.9 m -80.84 -43.33 20.15 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 123.501 0.72 . . . . 0.0 109.702 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -78.72 -21.84 47.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.91 2.45 56.53 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.492 177.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' X' ' 15' ' ' SER . 0.4 OUTLIER -62.22 -18.86 62.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 167.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.998 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.777 175.607 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' X' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.639 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 24.5 mt -150.41 -41.64 0.13 Allowed 'General case' 0 CA--C 1.493 -1.23 0 CA-C-O 122.822 1.296 . . . . 0.0 107.955 168.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -49.39 -48.64 46.86 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.053 -2.34 . . . . 0.0 108.714 162.247 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' X' ' 14' ' ' LEU . 32.3 tp -77.06 -24.41 51.96 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.712 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.639 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 14.6 t90 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.818 -0.551 . . . . 0.0 111.211 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 1.049 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -79.09 12.54 2.2 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.711 0.767 . . . . 0.0 109.695 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' X' ' 11' ' ' LEU . 52.3 mt -115.87 -9.47 11.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.032 166.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -84.2 -75.1 0.35 Allowed 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.661 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.0 -12.47 13.23 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.268 0.556 . . . . 0.0 110.127 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 1.049 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -99.62 13.12 34.63 Favored 'General case' 0 CA--C 1.483 -1.602 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 176.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 35.9 p-80 -58.48 -23.09 56.91 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 112.576 -2.102 . . . . 0.0 107.104 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.662 -1.153 . . . . 0.0 112.749 177.378 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HD1' ' X' ' 8' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.182 0.515 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.798 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 17.3 mt -99.49 -22.82 15.33 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 122.547 1.165 . . . . 0.0 110.049 -162.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -40.34 -52.86 2.66 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 112.109 -2.314 . . . . 0.0 109.837 157.293 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 98.3 mt -85.63 -28.61 24.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.139 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.798 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 22.4 t90 -65.42 -46.55 79.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.189 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -72.19 -5.59 36.77 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.012 0.434 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.0 mt -98.08 -16.31 19.63 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.122 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -67.47 -48.15 68.01 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.427 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -81.01 -8.04 59.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.738 174.325 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.844 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -90.85 -17.7 26.08 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -11.17 60.76 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 167.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.809 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.564 173.885 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' X' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 121.165 0.507 . . . . 0.0 109.722 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.837 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 39.2 mt -140.44 -28.61 0.71 Allowed 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 122.228 1.013 . . . . 0.0 109.832 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.03 9.63 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 112.957 -1.929 . . . . 0.0 108.552 159.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' X' ' 8' ' ' TYR . 56.1 mt -86.97 -17.53 32.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.917 -1.492 . . . . 0.0 110.284 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.837 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 23.5 t90 -58.66 -46.65 86.72 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.57 170.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.33 13.11 0.62 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.617 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 19.4 mt -127.19 -27.36 2.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.349 171.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 36.0 t -99.38 -34.67 10.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -172.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.703 HD23 ' HE1' ' X' ' 12' ' ' TRP . 61.5 tp -113.99 -23.58 9.5 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.231 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -89.86 8.41 32.23 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.73 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 18' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 5.4 p-80 -57.86 -26.06 61.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.929 177.757 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.785 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 41.9 mt -148.99 -37.11 0.17 Allowed 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 122.391 1.091 . . . . 0.0 108.76 169.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.479 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -49.92 -45.13 50.7 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 112.674 -2.057 . . . . 0.0 109.072 162.492 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.533 HD23 HD12 ' X' ' 14' ' ' LEU . 36.4 mt -81.09 -30.25 34.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.688 175.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.785 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.2 t90 -66.71 -39.49 88.06 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.554 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.972 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -74.59 3.3 7.98 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.006 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 73.8 mt -102.87 -21.22 14.04 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.175 163.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 39.3 t -73.21 -44.62 59.41 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.802 0.841 . . . . 0.0 109.048 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -73.1 -25.85 61.02 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -87.0 -3.94 59.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.719 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -64.21 -12.44 40.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 166.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.085 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.818 174.287 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 121.39 0.614 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 9' ' ' LEU . . . . . 0.929 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 23.8 mt -142.04 -22.91 0.7 Allowed 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 122.71 1.243 . . . . 0.0 108.822 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 10' ' ' ARG . . . . . 0.574 ' HG2' ' N ' ' X' ' 11' ' ' LEU . 0.0 OUTLIER -57.9 -25.35 60.73 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 112.052 -2.34 . . . . 0.0 109.07 167.678 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.574 ' N ' ' HG2' ' X' ' 10' ' ' ARG . 63.3 mt -105.88 -25.68 12.04 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.881 174.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 12' ' ' TRP . . . . . 0.929 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.5 t90 -68.48 -41.86 79.51 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.421 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 13' ' ' ALA . . . . . 0.674 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.59 -6.65 45.59 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.315 0.578 . . . . 0.0 109.672 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.656 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.3 mt -97.76 -15.97 20.08 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.37 168.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -74.44 -41.64 60.5 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 16' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.8 OUTLIER -74.76 -20.55 59.77 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.786 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' X' X ' 17' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.9 -12.02 51.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -9.4 58.6 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 168.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.789 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.493 173.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.548 ' O ' HG22 ' X' ' 5' ' ' THR . 18.5 ptmt -144.7 133.42 22.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -63.68 -14.37 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.332 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -101.78 21.63 14.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.881 HG23 ' H ' ' X' ' 6' ' ' ALA . 1.6 t -64.1 -69.89 0.25 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.645 171.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.881 ' H ' HG23 ' X' ' 5' ' ' THR . . . 63.85 89.84 0.09 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 113.615 -1.63 . . . . 0.0 112.357 173.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 72.5 m 59.98 26.58 15.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.921 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.487 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.1 t80 -116.54 57.05 0.78 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.443 0.64 . . . . 0.0 109.3 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.779 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.9 mt -139.75 -34.44 0.56 Allowed 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 122.266 1.032 . . . . 0.0 108.834 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -53.3 12.85 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.202 159.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.401 HD23 HD12 ' X' ' 14' ' ' LEU . 96.1 mt -81.9 -29.66 32.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.435 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.779 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 3.5 t90 -68.76 -34.13 75.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.157 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.636 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.52 -1.47 18.69 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.102 -0.999 . . . . 0.0 109.45 178.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 84.0 mt -96.9 -18.86 19.23 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.4 164.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' X' ' 12' ' ' TRP . 51.1 m -72.9 -35.13 67.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.418 0.687 . . . . 0.0 109.657 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 2.8 pp -79.6 -14.13 59.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.969 ' HA ' ' HG2' ' X' ' 20' ' ' GLN . . . -85.07 -22.87 28.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -76.28 -8.33 56.85 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.808 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.85 -28.21 12.55 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.358 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.969 ' HG2' ' HA ' ' X' ' 17' ' ' ALA . 18.7 pt20 -79.21 -38.99 34.4 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.583 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' X' ' 20' ' ' GLN . 79.5 mt -92.22 52.81 2.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.127 0.965 . . . . 0.0 109.637 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -168.89 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.451 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -96.5 17.65 15.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.061 0.458 . . . . 0.0 110.9 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' X' ' 20' ' ' GLN . 31.5 mmtp -92.68 -53.2 4.28 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 172.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--O 1.252 1.233 0 O-C-N 124.034 0.834 . . . . 0.0 111.193 174.29 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.604 0.24 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' X' ' 4' ' ' HIS . 39.3 mmtm -88.61 76.04 8.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.12 -0.362 . . . . 0.0 111.922 -172.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 69.1 -28.09 0.16 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' X' ' 2' ' ' LYS . 38.8 m-70 -76.7 -5.95 50.11 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.733 0.301 . . . . 0.0 111.101 -179.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.584 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.9 OUTLIER -61.49 -96.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.496 170.225 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.584 ' H ' HG23 ' X' ' 5' ' ' THR . . . 68.94 -49.94 0.59 Allowed 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.26 1.024 . . . . 0.0 113.358 172.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -64.42 -29.84 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.522 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.4 t80 -91.06 99.92 12.86 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 122.108 0.956 . . . . 0.0 110.835 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.726 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -158.83 -39.18 0.06 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.796 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.726 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 3.7 mtp180 -46.28 -66.61 0.38 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 111.141 -2.754 . . . . 0.0 111.142 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.522 ' HB2' ' HE1' ' X' ' 8' ' ' TYR . 97.6 mt -73.88 -12.57 60.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.616 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.579 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 4.4 t90 -76.28 -44.47 36.97 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.037 0.446 . . . . 0.0 110.647 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.643 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -70.78 -7.25 43.74 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.66 0.743 . . . . 0.0 109.277 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 78.8 mt -98.33 -19.58 17.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.283 169.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 66.1 m -72.97 -44.88 60.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -74.11 -20.52 60.22 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.605 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -88.81 -5.81 57.8 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.181 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' X' ' 15' ' ' SER . 1.5 m-70 -69.73 -5.27 24.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 163.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.86 10.73 8.94 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.514 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.529 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 31.4 mm-40 -113.81 -55.6 2.49 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.42 36.53 0.84 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.709 1.242 . . . . 0.0 109.451 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' SER . . . . . 0.415 ' H ' ' C ' ' X' ' 20' ' ' GLN . 44.2 m -158.22 18.26 0.23 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.666 -2.061 . . . . 0.0 109.222 176.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 39.0 t -122.37 -64.93 1.15 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.575 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -77.52 -48.88 15.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.038 0.446 . . . . 0.0 110.326 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.945 -178.833 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' X' ' 2' ' ' LYS . 0.4 OUTLIER -140.72 166.0 25.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.275 -179.005 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 6.3 p -76.81 62.29 2.02 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -141.07 -53.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 0.0 108.987 171.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t -107.43 -126.22 0.25 Allowed 'General case' 0 N--CA 1.435 -1.177 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' X' ' 8' ' ' TYR . . . -170.6 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' X' ' 6' ' ' ALA . 52.4 m 68.01 -14.14 0.25 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.238 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.587 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -94.14 64.71 3.31 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -172.615 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.6 mt -145.25 -48.47 0.23 Allowed 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 168.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -44.55 -54.05 6.45 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.158 156.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 98.2 mt -69.95 -26.8 64.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.443 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.694 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 11.2 t90 -66.05 -42.41 89.54 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 118.5 -1.28 . . . . 0.0 111.288 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 2.02 7.74 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.066 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 74.7 mt -101.59 -16.86 16.61 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.325 165.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 48.2 m -79.45 -35.05 41.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.758 0.823 . . . . 0.0 108.926 171.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 36.9 tp -69.34 -31.27 69.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.52 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -82.09 -10.21 59.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.752 177.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' X' ' 15' ' ' SER . 25.3 m170 -68.78 -11.39 60.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.37 7.57 9.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.551 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -113.23 -37.5 4.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.841 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -89.82 59.58 4.67 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.922 0.867 . . . . 0.0 109.912 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -175.46 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.749 -1.568 . . . . 0.0 108.392 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 17.2 t -80.71 94.87 6.45 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.935 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 53.01 82.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.928 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' LYS . . . . . 0.876 ' HA ' ' HE2' ' X' ' 25' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.311 -1.067 0 CA-C-O 118.652 -0.689 . . . . 0.0 109.464 177.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -146.48 10.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.514 -175.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -98.32 -50.5 4.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.12 0.486 . . . . 0.0 110.522 -177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -111.27 -26.1 9.34 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.938 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -110.59 -123.67 0.27 Allowed 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.363 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.02 -71.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.241 1.016 . . . . 0.0 111.024 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 35.8 p -131.84 -25.17 2.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.219 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.721 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.15 61.45 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -169.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 60.4 mt -148.06 -43.41 0.16 Allowed 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 165.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.47 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -50.25 -49.25 53.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.133 -2.303 . . . . 0.0 107.743 157.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.721 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 97.6 mt -73.17 -21.09 60.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.235 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.705 ' HA ' ' HB2' ' X' ' 15' ' ' SER . 11.9 t90 -67.57 -41.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.863 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.66 6.91 3.4 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.26 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 33.9 mt -119.92 4.59 10.95 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.722 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.705 ' HB2' ' HA ' ' X' ' 12' ' ' TRP . 25.0 t -83.54 -39.27 20.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 108.96 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' X' ' 22' ' ' SER . 0.5 OUTLIER -96.34 -24.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.249 172.137 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' X' ' 13' ' ' ALA . . . -96.02 9.65 40.08 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.977 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.1 p80 -60.77 -22.81 64.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.07 7.89 2.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.291 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.558 ' HB2' ' HB3' ' X' ' 23' ' ' SER . 15.6 pt20 38.62 38.86 0.28 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.108 0.963 . . . . 0.0 112.588 -175.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.28 49.47 1.43 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.698 0.761 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' SER . . . . . 0.657 ' HB2' HD12 ' X' ' 16' ' ' LEU . 4.0 m 167.23 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.149 -1.841 . . . . 0.0 107.778 -172.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.558 ' HB3' ' HB2' ' X' ' 20' ' ' GLN . 9.4 t -82.84 36.88 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 -175.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -91.85 -12.87 32.43 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 165.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.995 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -119.34 -32.6 4.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -169.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -82.64 -32.04 28.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.176 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -89.65 -22.18 22.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.543 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 11.8 p -80.25 -80.99 0.13 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.397 0.618 . . . . 0.0 112.303 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.67 -54.05 50.94 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.568 -175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 66.4 m 53.29 37.32 24.99 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.422 0.63 . . . . 0.0 110.446 -176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER -157.91 61.11 0.47 Allowed 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -177.726 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.984 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -143.28 -36.59 0.37 Allowed 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.48 1.133 . . . . 0.0 109.126 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.404 ' HD3' ' H ' ' X' ' 10' ' ' ARG . 0.1 OUTLIER -42.46 -48.35 5.21 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.335 -2.211 . . . . 0.0 109.229 161.356 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.454 HD23 HD12 ' X' ' 14' ' ' LEU . 62.9 mt -88.97 -23.95 22.53 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.477 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.984 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.3 t90 -64.9 -41.78 95.3 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.573 0.624 . . . . 0.0 111.366 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.44 -5.14 30.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.214 0.531 . . . . 0.0 110.044 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 75.0 mt -104.74 -14.31 15.6 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.277 169.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 65.7 m -76.55 -44.43 34.82 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -72.42 -21.21 61.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.235 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -92.83 -5.03 51.93 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.047 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' X' ' 15' ' ' SER . 0.6 OUTLIER -66.38 -13.86 61.26 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 164.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.42 -4.5 18.46 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.887 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' X' ' 17' ' ' ALA . 15.8 mm100 -92.3 -37.32 12.71 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.34 55.66 3.12 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.3 1.048 . . . . 0.0 109.283 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -171.95 -29.43 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.362 -1.745 . . . . 0.0 108.825 -173.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -70.71 142.18 51.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.559 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.549 ' N ' ' HD2' ' X' ' 24' ' ' LYS . 11.6 mptt -80.61 68.81 6.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 111.105 -174.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.248 0.994 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.33 173.525 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -136.12 60.82 1.66 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.025 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t 55.74 35.96 26.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.515 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 p80 38.34 79.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.557 1.17 . . . . 0.0 112.47 -173.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.403 HG22 ' H ' ' X' ' 5' ' ' THR . 1.8 t -89.8 -112.98 0.07 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.179 -178.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' X' ' 9' ' ' LEU . . . -170.64 124.53 0.68 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -44.53 -51.47 8.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.123 0.889 . . . . 0.0 112.244 -170.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.522 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER -114.34 42.08 2.16 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.278 0.561 . . . . 0.0 111.211 -178.338 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.847 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 58.0 mt -135.92 -19.34 1.55 Allowed 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.352 1.072 . . . . 0.0 109.558 171.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -56.4 3.06 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.17 157.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.621 HD23 HD12 ' X' ' 14' ' ' LEU . 93.2 mt -82.92 -16.59 46.81 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.879 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.847 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 29.2 t90 -63.97 -46.52 84.29 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.821 170.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.62 14.29 0.83 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.69 0.757 . . . . 0.0 109.991 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.848 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.1 mt -124.41 -17.45 6.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.024 169.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 68.7 m -83.48 -36.58 24.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -74.48 -28.21 60.91 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 169.391 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.848 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.82 1.1 51.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.536 175.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' X' ' 15' ' ' SER . 22.3 m170 -73.47 -0.45 15.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.03 0.919 . . . . 0.0 108.525 166.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.63 9.86 5.54 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.156 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.44 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 20.8 mm-40 -114.71 -47.32 2.9 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 174.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 29.5 mt -102.46 32.48 3.55 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.256 1.026 . . . . 0.0 109.45 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -162.31 17.72 0.09 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.799 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -91.99 -74.8 0.5 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -148.48 22.95 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.242 -1.345 . . . . 0.0 108.477 -170.726 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 60.7 pttt . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.641 0.258 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -139.13 145.9 39.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.008 0.433 . . . . 0.0 110.496 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -76.55 20.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.325 -167.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -98.83 -16.21 18.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.884 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 6.2 p 63.52 125.09 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.575 1.15 . . . . 0.0 114.075 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.46 -47.36 4.12 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.362 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m 60.83 10.54 2.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.951 -1.022 . . . . 0.0 113.312 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.416 ' C ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER -97.02 67.99 2.26 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.919 0.39 . . . . 0.0 111.843 -173.394 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.792 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -147.39 -42.38 0.17 Allowed 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 122.548 1.166 . . . . 0.0 108.858 170.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.455 ' H ' ' HE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -43.36 -47.47 6.8 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.49 -2.141 . . . . 0.0 109.226 160.067 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.24 -26.76 35.58 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.95 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.792 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.7 t90 -63.14 -40.32 97.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.378 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.656 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -75.32 4.36 7.31 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.999 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -112.56 -5.28 14.03 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.757 166.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.7 m -83.83 -37.03 23.02 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.837 HD12 ' HB3' ' X' ' 22' ' ' SER . 0.5 OUTLIER -88.56 -27.57 21.3 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 172.562 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.529 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.99 11.09 28.64 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -55.89 -28.09 55.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 166.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.45 4.2 1.76 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.99 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.518 ' H ' ' HA ' ' X' ' 17' ' ' ALA . 79.4 mt-30 53.89 26.31 6.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.595 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' X' ' 22' ' ' SER . 95.7 mt -84.62 57.75 4.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.824 0.821 . . . . 0.0 110.488 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 22' ' ' SER . . . . . 0.837 ' HB3' HD12 ' X' ' 16' ' ' LEU . 48.4 t 166.72 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.304 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' X' ' 20' ' ' GLN . 23.0 t -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.212 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' X' ' 24' ' ' LYS . 4.0 mmmp? 66.04 41.98 3.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.764 174.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.911 178.126 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -136.84 163.09 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.392 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -80.26 47.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 0.0 111.149 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -117.7 -46.82 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.619 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' X' ' 8' ' ' TYR . 20.8 p -135.76 116.65 14.15 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.909 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.54 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.15 -173.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.9 m -121.32 -18.06 7.46 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.865 0.364 . . . . 0.0 111.517 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.434 ' HB3' ' HB ' ' X' ' 5' ' ' THR . 1.0 OUTLIER -83.15 62.78 6.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -174.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.82 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 63.9 mt -145.84 -39.61 0.23 Allowed 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.498 1.142 . . . . 0.0 108.617 166.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.526 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -46.53 -41.8 14.76 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.01 161.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.625 HD23 HD12 ' X' ' 14' ' ' LEU . 94.9 mt -87.13 -24.11 24.63 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.441 175.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.82 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 10.6 t90 -61.74 -44.18 97.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.912 173.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.88 15.6 0.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.305 0.574 . . . . 0.0 110.456 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.738 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 45.8 mt -123.53 -20.18 5.63 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.302 168.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 46.6 m -87.62 -32.39 19.31 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.918 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -79.24 -27.76 42.44 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 167.307 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.99 3.2 39.59 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.401 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' X' ' 15' ' ' SER . 15.3 m170 -68.81 -5.66 22.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.689 0.757 . . . . 0.0 109.098 168.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.91 12.25 5.2 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.026 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.664 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 64.1 tt0 -115.98 -23.86 8.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 86.3 mt -114.31 33.8 5.08 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 123.025 1.393 . . . . 0.0 108.807 170.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 52.4 m -155.46 19.05 0.41 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.625 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 51.8 p -96.75 -134.6 0.23 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -65.18 -28.75 69.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-N 114.247 -1.342 . . . . 0.0 108.054 167.468 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 42.2 tptt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.492 0.663 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' X' ' 4' ' ' HIS . 66.0 mttm -90.26 30.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.271 -174.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t 70.75 -42.58 0.53 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.3 0.64 . . . . 0.0 111.145 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' HIS . . . . . 0.462 ' HA ' ' OG ' ' X' ' 7' ' ' SER . 26.4 m170 -63.79 -2.47 1.81 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.765 0.826 . . . . 0.0 112.534 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.79 -18.51 65.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.591 0.71 . . . . 0.0 110.431 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' X' ' 7' ' ' SER . . . -161.57 -54.12 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.518 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.462 ' OG ' ' HA ' ' X' ' 4' ' ' HIS . 49.3 m 77.64 -34.9 0.2 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.386 1.074 . . . . 0.0 112.65 171.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.432 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER -111.85 66.51 0.64 Allowed 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.436 -173.599 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 64.5 mt -144.09 -40.1 0.28 Allowed 'General case' 0 CA--C 1.485 -1.532 0 CA-C-O 122.373 1.082 . . . . 0.0 109.502 175.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.4 -52.71 12.44 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.504 -2.135 . . . . 0.0 108.65 163.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.25 -22.85 28.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.71 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.787 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 2.1 t90 -69.25 -35.3 75.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 118.516 -1.273 . . . . 0.0 110.916 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.48 -0.38 10.32 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.523 0.678 . . . . 0.0 109.632 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 33.3 mt -112.75 -5.44 13.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.716 166.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.604 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 31.9 t -85.72 -41.82 14.78 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.111 0.964 . . . . 0.0 109.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -76.97 -22.64 52.91 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 171.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.88 2.37 56.57 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.375 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.5 m170 -60.38 -20.1 58.31 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.533 168.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.54 5.85 11.08 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.731 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 15.8 mm100 -100.8 -39.86 7.6 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.79 53.2 2.69 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.842 0.83 . . . . 0.0 109.853 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 61.0 m -171.99 -29.6 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.597 -172.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' X' ' 24' ' ' LYS . 41.6 p -79.81 -15.59 57.14 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.416 -174.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' X' ' 23' ' ' SER . 35.6 mmtp 69.32 14.94 8.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.55 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.285 -176.787 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.497 0.189 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -116.03 74.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m 67.48 -56.96 0.45 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 168.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -67.65 -3.71 9.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -170.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.628 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.5 OUTLIER -54.99 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 112.37 177.43 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.628 ' H ' HG23 ' X' ' 5' ' ' THR . . . -137.05 31.56 2.68 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.276 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 10.7 t -111.03 7.72 21.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.425 0.631 . . . . 0.0 110.93 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -89.24 61.63 5.81 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.646 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 47.5 mt -146.89 -45.26 0.18 Allowed 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -45.59 -48.57 14.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 112.286 -2.233 . . . . 0.0 108.473 158.549 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.71 -26.95 58.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.64 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.646 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.0 t90 -57.96 -46.16 85.55 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 110.963 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 1.079 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -73.99 8.36 2.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 34.5 mt -129.89 -6.1 4.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.433 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -117.13 -16.42 10.42 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.307 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.513 HD21 ' HD1' ' X' ' 12' ' ' TRP . 0.7 OUTLIER -148.52 -3.07 0.48 Allowed 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.209 169.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 1.079 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -108.81 6.25 25.35 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 167.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.688 ' HA ' HD12 ' X' ' 21' ' ' LEU . 0.7 OUTLIER -67.83 -14.19 62.76 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 113.053 -1.885 . . . . 0.0 106.31 162.367 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.15 -21.28 27.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.273 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -76.35 -33.7 58.97 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' X' ' 18' ' ' HIS . 4.7 mt -81.95 49.3 1.35 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.169 0.985 . . . . 0.0 110.058 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -171.53 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.634 -1.621 . . . . 0.0 108.867 -173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -105.25 -19.93 13.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.1 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' X' ' 24' ' ' LYS . 5.3 mmmp? -100.87 28.94 4.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.832 0.349 . . . . 0.0 111.668 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.846 177.256 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.42 162.37 26.5 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -82.28 8.95 9.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.256 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -100.14 11.94 38.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.136 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 24.0 p -54.54 -46.49 73.6 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.152 0.977 . . . . 0.0 110.292 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.22 21.56 12.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.654 166.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -128.61 -72.01 0.62 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.557 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.48 65.21 9.07 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.4 mt -147.8 -44.68 0.16 Allowed 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 163.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.485 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -47.72 -50.5 24.99 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 112.249 -2.25 . . . . 0.0 108.251 158.703 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 86.5 mt -70.5 -28.18 64.77 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.479 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.679 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.5 t90 -64.5 -47.12 80.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.7 0.682 . . . . 0.0 111.773 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.847 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -69.88 -10.32 58.08 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 92.3 mt -93.88 -20.91 19.61 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.186 170.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 56.2 m -73.17 -36.2 66.57 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.847 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -79.55 -24.01 42.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.307 173.227 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -83.74 -12.73 55.38 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.928 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -65.17 -16.0 63.04 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.06 -2.47 25.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.274 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -90.57 -46.85 8.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.67 58.68 2.32 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 122.215 1.007 . . . . 0.0 109.587 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 63.8 m -172.58 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.161 -1.836 . . . . 0.0 107.368 -175.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.534 ' C ' ' H ' ' X' ' 25' ' ' LYS . 38.9 t -74.28 -33.45 63.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' X' ' 23' ' ' SER . 14.1 mptt 71.67 -28.74 0.19 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.67 0.606 . . . . 0.0 110.621 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 25' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' X' ' 23' ' ' SER . 34.1 mmtp . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.092 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.506 0.193 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.437 ' O ' HG22 ' X' ' 5' ' ' THR . 96.9 mttt -132.7 143.79 49.87 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.73 48.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -171.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 -126.52 -17.41 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.535 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.607 HG23 ' H ' ' X' ' 6' ' ' ALA . 1.3 t -84.41 -101.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.403 0.62 . . . . 0.0 112.087 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.607 ' H ' HG23 ' X' ' 5' ' ' THR . . . -78.48 36.74 0.26 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.24 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 47.7 m -109.83 -47.64 3.32 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.834 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.451 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.5 t80 -100.24 103.2 14.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 122.049 0.928 . . . . 0.0 110.748 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.713 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -164.63 -37.34 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 123.536 1.636 . . . . 0.0 107.779 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.713 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 2.1 mtp180 -48.31 -62.51 1.45 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 111.054 -2.793 . . . . 0.0 111.148 175.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.716 HD23 HD12 ' X' ' 14' ' ' LEU . 79.0 mt -76.78 -13.07 60.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.695 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.9 t90 -72.83 -40.91 65.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -75.26 0.13 17.62 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.61 0.719 . . . . 0.0 109.587 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.746 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 77.8 mt -105.54 -17.12 14.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.4 168.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 67.1 m -79.04 -38.64 36.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -72.62 -25.66 61.39 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 169.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -86.67 1.38 52.16 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.21 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' X' ' 15' ' ' SER . 47.1 m170 -66.7 -10.91 51.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 164.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.23 -17.68 14.38 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.622 174.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.482 ' HG3' ' HA ' ' X' ' 17' ' ' ALA . 42.4 mt-30 -86.99 -38.66 16.39 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.541 ' HA ' ' HB2' ' X' ' 25' ' ' LYS . 60.1 mt -81.15 56.32 2.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 122.334 1.064 . . . . 0.0 108.92 172.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 57.8 m -171.63 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 112.799 -2.0 . . . . 0.0 107.518 -174.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 14.3 t -81.02 59.04 3.66 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.448 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' X' ' 24' ' ' LYS . 62.5 mmtt 66.12 45.38 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.698 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' HA ' ' X' ' 21' ' ' LEU . 62.1 mttp . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.339 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.755 0.312 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' X' ' 5' ' ' THR . 17.9 ptpt -146.99 18.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -101.95 -52.82 3.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.228 0.537 . . . . 0.0 109.885 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -102.99 -5.4 23.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.43 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' X' ' 2' ' ' LYS . 2.0 t -148.35 163.78 36.07 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.477 0.656 . . . . 0.0 110.411 176.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.54 -6.69 20.34 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.249 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 15.7 t 65.5 1.81 1.81 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -88.55 58.66 4.78 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 121.755 -0.591 . . . . 0.0 111.972 -172.083 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 65.5 mt -143.59 -42.67 0.28 Allowed 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 165.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.46 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -48.58 -45.32 37.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 111.984 -2.371 . . . . 0.0 108.64 158.459 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 95.7 mt -77.74 -31.05 51.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.214 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.78 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.6 t90 -60.56 -43.8 96.86 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.6 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.973 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.47 -3.32 23.67 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.068 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 87.0 mt -99.42 -23.22 15.2 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.019 168.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.487 ' HA ' ' ND1' ' X' ' 18' ' ' HIS . 60.6 m -76.38 -36.71 57.99 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.973 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -77.08 -28.71 54.69 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.723 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.57 -6.53 59.37 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.248 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.487 ' ND1' ' HA ' ' X' ' 15' ' ' SER . 20.0 m170 -57.35 -19.64 24.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.45 17.19 3.15 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.664 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.486 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 2.3 pt20 -102.97 -30.73 10.61 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.418 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.66 56.23 3.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.836 0.827 . . . . 0.0 110.152 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p 175.77 -29.81 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.688 -1.596 . . . . 0.0 109.982 -174.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -114.64 69.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.853 -171.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -152.18 -67.78 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.187 172.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.015 178.731 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.201 0.524 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -156.74 18.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p -140.54 -92.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.341 . . . . 0.0 111.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -101.48 34.39 2.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.497 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.5 OUTLIER -68.09 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.659 172.408 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.497 ' H ' HG23 ' X' ' 5' ' ' THR . . . -139.82 -54.08 0.54 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.976 174.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 37.6 t 74.79 -24.57 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.444 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.484 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER -116.68 55.72 0.81 Allowed 'General case' 0 C--N 1.313 -1.006 0 O-C-N 121.671 -0.643 . . . . 0.0 110.695 -175.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.939 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 84.1 mt -137.9 -33.49 0.7 Allowed 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 122.27 1.033 . . . . 0.0 109.909 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.56 -43.98 17.59 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 112.997 -1.911 . . . . 0.0 108.58 160.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 98.8 mt -90.01 -21.11 22.54 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.285 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.939 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.8 t90 -66.09 -38.99 89.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.064 -1.055 . . . . 0.0 111.257 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -70.88 0.75 6.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.715 0.769 . . . . 0.0 109.72 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.576 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.3 mt -110.44 -7.17 14.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.923 166.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 70.4 m -83.61 -40.32 19.19 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.669 0.788 . . . . 0.0 109.66 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -82.3 -13.64 56.64 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.312 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -99.23 4.41 46.65 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB2' ' O ' ' X' ' 15' ' ' SER . 5.8 m170 -62.5 -17.23 59.19 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 167.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.882 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' X' ' 17' ' ' ALA . 49.9 mt-30 -115.29 -5.61 12.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.699 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt -117.02 57.6 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.595 0.712 . . . . 0.0 109.544 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m 170.97 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.498 -1.683 . . . . 0.0 108.326 -172.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' X' ' 24' ' ' LYS . 22.7 t -132.17 146.24 51.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.498 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.979 ' HA ' ' HE2' ' X' ' 24' ' ' LYS . 9.1 mmpt? 75.04 -16.0 0.61 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.801 0.688 . . . . 0.0 112.164 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.843 -0.599 . . . . 0.0 112.06 174.451 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.782 0.325 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -164.39 34.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -123.81 -29.76 3.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.466 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 4' ' ' HIS . . . . . 0.496 ' HA ' ' HB3' ' X' ' 7' ' ' SER . 21.4 m170 -122.44 15.79 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.302 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.76 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.6 OUTLIER -59.83 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.987 0.899 . . . . 0.0 111.661 174.547 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.76 ' H ' HG23 ' X' ' 5' ' ' THR . . . -102.54 38.98 1.59 Allowed 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.725 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' X' ' 4' ' ' HIS . 4.0 p -50.88 -48.54 60.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.451 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER -109.46 51.52 0.75 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.384 0.611 . . . . 0.0 109.752 173.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.876 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 57.1 mt -138.75 -29.45 0.79 Allowed 'General case' 0 CA--C 1.491 -1.318 0 CA-C-O 122.264 1.031 . . . . 0.0 109.29 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' X' ' 6' ' ' ALA . 0.0 OUTLIER -45.5 -55.11 6.56 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.735 -2.03 . . . . 0.0 107.984 157.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 96.9 mt -76.93 -23.78 52.45 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.298 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.876 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 17.1 t90 -67.74 -42.01 82.52 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.62 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.08 1.48 8.95 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.565 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.757 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 46.0 mt -110.82 -3.24 15.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.943 165.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 15' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' X' ' 12' ' ' TRP . 74.9 m -80.84 -43.33 20.15 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 123.501 0.72 . . . . 0.0 109.702 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -78.72 -21.84 47.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.91 2.45 56.53 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.492 177.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' X' ' 15' ' ' SER . 0.4 OUTLIER -62.22 -18.86 62.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 167.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.69 6.81 21.92 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.777 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' X' ' 17' ' ' ALA . 90.3 mt-30 -108.66 -24.11 11.49 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.086 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' X' ' 22' ' ' SER . 65.3 mt -76.75 61.41 1.86 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.571 0.7 . . . . 0.0 109.754 174.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 22' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' X' ' 21' ' ' LEU . 39.7 t 169.07 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.911 -171.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -105.47 -75.84 0.62 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.318 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.34 -37.09 20.31 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.113 0.482 . . . . 0.0 111.475 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 25' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' X' ' 21' ' ' LEU . 68.0 mttm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.942 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.904 ' HA ' ' HE2' ' X' ' 2' ' ' LYS . 10.2 mmpt? -98.75 139.13 34.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -59.34 -22.55 61.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -9.19 57.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -57.0 -45.81 82.74 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.448 0.642 . . . . 0.0 112.079 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 72.06 -68.29 0.23 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.727 -1.579 . . . . 0.0 112.425 171.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 17.7 m -134.21 -19.61 1.95 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.942 0.401 . . . . 0.0 111.474 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' X' ' 8' ' ' TYR . 0.9 OUTLIER -86.1 71.94 10.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.134 -172.206 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.639 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 24.5 mt -150.41 -41.64 0.13 Allowed 'General case' 0 CA--C 1.493 -1.23 0 CA-C-O 122.822 1.296 . . . . 0.0 107.955 168.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -49.39 -48.64 46.86 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.053 -2.34 . . . . 0.0 108.714 162.247 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' X' ' 14' ' ' LEU . 32.3 tp -77.06 -24.41 51.96 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.712 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.639 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 14.6 t90 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.818 -0.551 . . . . 0.0 111.211 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 1.049 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -79.09 12.54 2.2 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.711 0.767 . . . . 0.0 109.695 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' X' ' 11' ' ' LEU . 52.3 mt -115.87 -9.47 11.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.032 166.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -84.2 -75.1 0.35 Allowed 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.661 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.0 -12.47 13.23 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.268 0.556 . . . . 0.0 110.127 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 1.049 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -99.62 13.12 34.63 Favored 'General case' 0 CA--C 1.483 -1.602 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 176.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 35.9 p-80 -58.48 -23.09 56.91 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 112.576 -2.102 . . . . 0.0 107.104 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.16 7.55 2.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.662 -1.153 . . . . 0.0 112.749 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 55.6 37.31 28.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.796 0.808 . . . . 0.0 109.889 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.692 ' O ' ' HB2' ' X' ' 22' ' ' SER . 86.6 mt -107.1 105.47 15.49 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 22' ' ' SER . . . . . 0.692 ' HB2' ' O ' ' X' ' 21' ' ' LEU . 15.3 m 86.43 -9.6 0.69 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 125.412 1.695 . . . . 0.0 110.637 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -71.76 120.39 17.28 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 72.62 3.36 4.66 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.745 0.818 . . . . 0.0 111.909 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' X' ' 22' ' ' SER . 23.3 ttmm . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.531 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' X' ' 3' ' ' SER . 60.6 pttt -163.51 -43.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 3' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' X' ' 2' ' ' LYS . 9.5 t -61.25 -28.43 69.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -164.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -106.78 -16.89 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.86 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -109.96 -85.12 0.55 Allowed 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' X' ' 10' ' ' ARG . . . -52.3 -48.81 65.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.309 -173.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 7' ' ' SER . . . . . 0.515 ' HA ' ' HE ' ' X' ' 10' ' ' ARG . 24.7 m -58.64 -24.75 61.77 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -175.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HD1' ' X' ' 8' ' ' TYR . 0.8 OUTLIER -93.54 -34.43 13.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.182 0.515 . . . . 0.0 111.582 -175.12 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.798 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 17.3 mt -99.49 -22.82 15.33 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 122.547 1.165 . . . . 0.0 110.049 -162.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.515 ' HE ' ' HA ' ' X' ' 7' ' ' SER . 0.0 OUTLIER -40.34 -52.86 2.66 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 112.109 -2.314 . . . . 0.0 109.837 157.293 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 98.3 mt -85.63 -28.61 24.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.139 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.798 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 22.4 t90 -65.42 -46.55 79.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.189 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -72.19 -5.59 36.77 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.012 0.434 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.0 mt -98.08 -16.31 19.63 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.122 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -67.47 -48.15 68.01 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.427 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' X' ' 20' ' ' GLN . 0.6 OUTLIER -81.01 -8.04 59.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.738 174.325 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.844 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -90.85 -17.7 26.08 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.58 -11.17 60.76 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 167.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' X' ' 23' ' ' SER . . . -100.04 -2.14 35.14 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.564 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.832 ' HA ' ' HB3' ' X' ' 24' ' ' LYS . 77.3 mt-30 -103.5 -58.12 1.93 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.194 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.53 63.67 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.387 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.07 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.976 -174.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.571 ' HB3' ' O ' ' X' ' 19' ' ' ALA . 36.1 t -138.96 -73.99 0.38 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.51 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 24' ' ' LYS . . . . . 0.832 ' HB3' ' HA ' ' X' ' 20' ' ' GLN . 22.3 tptm -63.33 -43.87 96.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.819 0.448 . . . . 0.0 112.086 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt . . . . . 0 C--O 1.251 1.168 0 O-C-N 123.521 0.513 . . . . 0.0 111.655 -174.606 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.568 0.223 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.643 ' O ' HG22 ' X' ' 5' ' ' THR . 97.1 mttt -138.18 -145.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.054 -177.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -68.79 -2.25 9.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 4' ' ' HIS . . . . . 0.449 ' HA ' ' HB2' ' X' ' 8' ' ' TYR . 30.5 m-70 -82.7 8.64 11.55 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.643 HG22 ' O ' ' X' ' 2' ' ' LYS . 2.5 t -94.58 -107.74 0.13 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 173.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.62 ' H ' HG23 ' X' ' 5' ' ' THR . . . -61.39 -34.04 74.68 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.21 0.604 . . . . 0.0 112.492 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -79.5 3.48 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.269 0.557 . . . . 0.0 111.713 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' X' ' 11' ' ' LEU . 1.0 OUTLIER -112.43 58.6 0.64 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.165 0.507 . . . . 0.0 109.722 178.669 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.837 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 39.2 mt -140.44 -28.61 0.71 Allowed 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 122.228 1.013 . . . . 0.0 109.832 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.03 9.63 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 112.957 -1.929 . . . . 0.0 108.552 159.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' X' ' 8' ' ' TYR . 56.1 mt -86.97 -17.53 32.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.917 -1.492 . . . . 0.0 110.284 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.837 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 23.5 t90 -58.66 -46.65 86.72 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.57 170.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.33 13.11 0.62 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.617 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 19.4 mt -127.19 -27.36 2.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.349 171.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 36.0 t -99.38 -34.67 10.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -172.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.703 HD23 ' HE1' ' X' ' 12' ' ' TRP . 61.5 tp -113.99 -23.58 9.5 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.231 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -89.86 8.41 32.23 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.73 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 18' ' ' HIS . . . . . 0.65 ' HA ' HD12 ' X' ' 21' ' ' LEU . 5.4 p-80 -57.86 -26.06 61.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.82 -3.45 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.929 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.514 ' HB2' ' HB1' ' X' ' 17' ' ' ALA . 79.0 mt-30 -101.26 2.18 39.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.787 0.803 . . . . 0.0 109.049 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 21' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' X' ' 18' ' ' HIS . 12.7 mt -95.19 13.41 25.5 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 122.59 1.186 . . . . 0.0 108.96 173.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 49.6 m -162.3 16.61 0.09 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.839 -1.982 . . . . 0.0 109.982 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' X' ' 20' ' ' GLN . 5.7 p -70.26 82.16 0.54 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.966 0.413 . . . . 0.0 111.874 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.03 27.02 15.82 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.177 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.81 -179.317 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 121.141 0.496 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -122.51 34.73 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m 70.55 -66.13 0.3 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.38 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.57 24.2 12.74 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -170.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -89.63 -87.35 0.18 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.074 0.464 . . . . 0.0 111.521 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.5 110.73 1.17 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.14 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 34.7 t -126.8 -31.75 2.64 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER -82.56 66.31 8.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.687 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.785 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 41.9 mt -148.99 -37.11 0.17 Allowed 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 122.391 1.091 . . . . 0.0 108.76 169.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.479 ' H ' ' NE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -49.92 -45.13 50.7 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 112.674 -2.057 . . . . 0.0 109.072 162.492 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.533 HD23 HD12 ' X' ' 14' ' ' LEU . 36.4 mt -81.09 -30.25 34.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.688 175.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.785 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.2 t90 -66.71 -39.49 88.06 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.554 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.972 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -74.59 3.3 7.98 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.006 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 73.8 mt -102.87 -21.22 14.04 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.175 163.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 39.3 t -73.21 -44.62 59.41 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.802 0.841 . . . . 0.0 109.048 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -73.1 -25.85 61.02 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -87.0 -3.94 59.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.719 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -64.21 -12.44 40.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 166.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' X' ' 23' ' ' SER . . . -117.15 1.74 12.54 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.818 174.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.579 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 32.6 tt0 -95.97 -41.61 8.69 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.66 34.66 0.89 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.553 1.168 . . . . 0.0 109.302 173.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' X' ' 20' ' ' GLN . 58.9 m -157.63 8.62 0.17 Allowed 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.721 -2.036 . . . . 0.0 110.374 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' X' ' 19' ' ' ALA . 41.6 t -80.62 -80.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.82 0.343 . . . . 0.0 110.12 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -84.31 -35.95 22.93 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.664 0.745 . . . . 0.0 109.001 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--O 1.252 1.215 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.393 177.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 2' ' ' LYS . . . . . 0.6 ' HA ' ' O ' ' X' ' 5' ' ' THR . 21.6 ptmt -158.27 24.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.471 . . . . 0.0 111.301 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -113.19 -51.44 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.955 0.407 . . . . 0.0 110.062 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -88.53 -25.1 22.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.197 0.523 . . . . 0.0 110.381 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' X' ' 2' ' ' LYS . 40.7 p -128.68 118.45 22.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 6' ' ' ALA . . . . . 0.605 ' HB1' HD12 ' X' ' 9' ' ' LEU . . . -62.31 -43.45 98.81 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.496 -175.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 72.5 m 62.19 1.22 0.67 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.14 35.17 0.25 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.39 0.614 . . . . 0.0 110.238 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 9' ' ' LEU . . . . . 0.929 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 23.8 mt -142.04 -22.91 0.7 Allowed 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 122.71 1.243 . . . . 0.0 108.822 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 10' ' ' ARG . . . . . 0.574 ' HG2' ' N ' ' X' ' 11' ' ' LEU . 0.0 OUTLIER -57.9 -25.35 60.73 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 112.052 -2.34 . . . . 0.0 109.07 167.678 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.574 ' N ' ' HG2' ' X' ' 10' ' ' ARG . 63.3 mt -105.88 -25.68 12.04 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.881 174.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 12' ' ' TRP . . . . . 0.929 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.5 t90 -68.48 -41.86 79.51 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.421 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 13' ' ' ALA . . . . . 0.674 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.59 -6.65 45.59 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.315 0.578 . . . . 0.0 109.672 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.656 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.3 mt -97.76 -15.97 20.08 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.37 168.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -74.44 -41.64 60.5 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 16' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.8 OUTLIER -74.76 -20.55 59.77 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.786 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 17' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.9 -12.02 51.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.98 -9.4 58.6 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 168.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' X' ' 23' ' ' SER . . . -98.78 -3.66 35.12 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.493 173.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -106.59 -42.34 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.628 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.34 54.08 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.535 0.683 . . . . 0.0 110.209 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m 177.82 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.302 -172.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 23' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' X' ' 19' ' ' ALA . 35.3 p -65.9 -77.89 0.06 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -173.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -116.15 -8.85 11.73 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 -175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.42 -177.469 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.487 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.1 t80 . . . . . 0 N--CA 1.445 -0.702 0 CA-C-O 121.443 0.64 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.779 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.9 mt -139.75 -34.44 0.56 Allowed 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 122.266 1.032 . . . . 0.0 108.834 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -53.3 12.85 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.202 159.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.401 HD23 HD12 ' X' ' 14' ' ' LEU . 96.1 mt -81.9 -29.66 32.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.435 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.779 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 3.5 t90 -68.76 -34.13 75.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.157 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.636 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.52 -1.47 18.69 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.102 -0.999 . . . . 0.0 109.45 178.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 84.0 mt -96.9 -18.86 19.23 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.4 164.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' X' ' 12' ' ' TRP . 51.1 m -72.9 -35.13 67.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.418 0.687 . . . . 0.0 109.657 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 2.8 pp -79.6 -14.13 59.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.07 -22.87 28.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -76.28 -8.33 56.85 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.808 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.903 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.358 177.714 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.522 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.4 t80 . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 122.108 0.956 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.726 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -158.83 -39.18 0.06 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.796 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.726 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 3.7 mtp180 -46.28 -66.61 0.38 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 111.141 -2.754 . . . . 0.0 111.142 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.522 ' HB2' ' HE1' ' X' ' 8' ' ' TYR . 97.6 mt -73.88 -12.57 60.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.616 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.579 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 4.4 t90 -76.28 -44.47 36.97 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.037 0.446 . . . . 0.0 110.647 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.643 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -70.78 -7.25 43.74 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.66 0.743 . . . . 0.0 109.277 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 78.8 mt -98.33 -19.58 17.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.283 169.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 66.1 m -72.97 -44.88 60.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -74.11 -20.52 60.22 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.605 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -88.81 -5.81 57.8 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.181 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' X' ' 15' ' ' SER . 27.5 m170 -69.73 -5.27 24.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 163.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.966 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.514 171.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.587 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.6 mt -145.25 -48.47 0.23 Allowed 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 168.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -44.55 -54.05 6.45 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.158 156.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 98.2 mt -69.95 -26.8 64.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.443 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.694 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 11.2 t90 -66.05 -42.41 89.54 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 118.5 -1.28 . . . . 0.0 111.288 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 2.02 7.74 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.066 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 74.7 mt -101.59 -16.86 16.61 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.325 165.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 48.2 m -79.45 -35.05 41.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.758 0.823 . . . . 0.0 108.926 171.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 36.9 tp -69.34 -31.27 69.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.52 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -82.09 -10.21 59.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.752 177.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' X' ' 15' ' ' SER . 25.3 m170 -68.78 -11.39 60.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.09 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.551 177.111 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.721 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 60.4 mt -148.06 -43.41 0.16 Allowed 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 165.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.47 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -50.25 -49.25 53.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.133 -2.303 . . . . 0.0 107.743 157.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.721 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 97.6 mt -73.17 -21.09 60.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.235 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.705 ' HA ' ' HB2' ' X' ' 15' ' ' SER . 11.9 t90 -67.57 -41.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.863 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.66 6.91 3.4 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.26 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 33.9 mt -119.92 4.59 10.95 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.722 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.705 ' HB2' ' HA ' ' X' ' 12' ' ' TRP . 25.0 t -83.54 -39.27 20.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 108.96 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' X' ' 17' ' ' ALA . 0.5 OUTLIER -96.34 -24.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.249 172.137 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' X' ' 13' ' ' ALA . . . -96.02 9.65 40.08 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.977 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.1 p80 -60.77 -22.81 64.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.291 176.358 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.984 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -143.28 -36.59 0.37 Allowed 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.48 1.133 . . . . 0.0 109.126 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.404 ' HD3' ' H ' ' X' ' 10' ' ' ARG . 0.1 OUTLIER -42.46 -48.35 5.21 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.335 -2.211 . . . . 0.0 109.229 161.356 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.454 HD23 HD12 ' X' ' 14' ' ' LEU . 62.9 mt -88.97 -23.95 22.53 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.477 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.984 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.3 t90 -64.9 -41.78 95.3 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.573 0.624 . . . . 0.0 111.366 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.44 -5.14 30.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.214 0.531 . . . . 0.0 110.044 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 75.0 mt -104.74 -14.31 15.6 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.277 169.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 65.7 m -76.55 -44.43 34.82 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -72.42 -21.21 61.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.235 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -92.83 -5.03 51.93 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.047 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' X' ' 15' ' ' SER . 12.9 m170 -66.38 -13.86 61.26 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 164.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.122 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.887 174.228 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.522 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.786 0 CA-C-O 121.278 0.561 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.847 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 58.0 mt -135.92 -19.34 1.55 Allowed 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.352 1.072 . . . . 0.0 109.558 171.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -56.4 3.06 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.17 157.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.621 HD23 HD12 ' X' ' 14' ' ' LEU . 93.2 mt -82.92 -16.59 46.81 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.879 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.847 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 29.2 t90 -63.97 -46.52 84.29 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.821 170.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.62 14.29 0.83 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.69 0.757 . . . . 0.0 109.991 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.848 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.1 mt -124.41 -17.45 6.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.024 169.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 68.7 m -83.48 -36.58 24.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -74.48 -28.21 60.91 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 169.391 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.848 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.82 1.1 51.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.536 175.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' X' ' 15' ' ' SER . 22.3 m170 -73.47 -0.45 15.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.03 0.919 . . . . 0.0 108.525 166.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.252 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.156 171.814 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.416 ' C ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.644 0 CA-C-O 120.919 0.39 . . . . 0.0 111.843 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.792 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -147.39 -42.38 0.17 Allowed 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 122.548 1.166 . . . . 0.0 108.858 170.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.455 ' H ' ' HE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -43.36 -47.47 6.8 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.49 -2.141 . . . . 0.0 109.226 160.067 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.24 -26.76 35.58 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.95 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.792 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.7 t90 -63.14 -40.32 97.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.378 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.656 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -75.32 4.36 7.31 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.999 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -112.56 -5.28 14.03 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.757 166.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.7 m -83.83 -37.03 23.02 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.656 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.5 OUTLIER -88.56 -27.57 21.3 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 172.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.529 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.99 11.09 28.64 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -55.89 -28.09 55.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 166.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.99 177.673 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.415 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.416 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.82 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 63.9 mt -145.84 -39.61 0.23 Allowed 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.498 1.142 . . . . 0.0 108.617 166.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.526 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -46.53 -41.8 14.76 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.01 161.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.625 HD23 HD12 ' X' ' 14' ' ' LEU . 94.9 mt -87.13 -24.11 24.63 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.441 175.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.82 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 10.6 t90 -61.74 -44.18 97.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.912 173.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.88 15.6 0.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.305 0.574 . . . . 0.0 110.456 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.738 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 45.8 mt -123.53 -20.18 5.63 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.302 168.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 46.6 m -87.62 -32.39 19.31 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.918 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -79.24 -27.76 42.44 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 167.307 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.99 3.2 39.59 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.401 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' X' ' 15' ' ' SER . 15.3 m170 -68.81 -5.66 22.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.689 0.757 . . . . 0.0 109.098 168.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.113 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.026 172.39 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.432 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 120.584 0.23 . . . . 0.0 111.436 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 64.5 mt -144.09 -40.1 0.28 Allowed 'General case' 0 CA--C 1.485 -1.532 0 CA-C-O 122.373 1.082 . . . . 0.0 109.502 175.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.4 -52.71 12.44 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.504 -2.135 . . . . 0.0 108.65 163.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.25 -22.85 28.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.71 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.787 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 2.1 t90 -69.25 -35.3 75.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 118.516 -1.273 . . . . 0.0 110.916 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.48 -0.38 10.32 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.523 0.678 . . . . 0.0 109.632 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 33.3 mt -112.75 -5.44 13.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.716 166.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.604 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 31.9 t -85.72 -41.82 14.78 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.111 0.964 . . . . 0.0 109.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -76.97 -22.64 52.91 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 171.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.88 2.37 56.57 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.375 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.5 m170 -60.38 -20.1 58.31 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.533 168.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.95 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.731 176.273 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.629 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.646 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 47.5 mt -146.89 -45.26 0.18 Allowed 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -45.59 -48.57 14.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 112.286 -2.233 . . . . 0.0 108.473 158.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.71 -26.95 58.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.64 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.646 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.0 t90 -57.96 -46.16 85.55 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 110.963 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 1.079 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -73.99 8.36 2.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 34.5 mt -129.89 -6.1 4.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.433 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -117.13 -16.42 10.42 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.307 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.513 HD21 ' HD1' ' X' ' 12' ' ' TRP . 0.7 OUTLIER -148.52 -3.07 0.48 Allowed 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.209 169.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 1.079 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -108.81 6.25 25.35 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 167.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 0.7 OUTLIER -67.83 -14.19 62.76 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 113.053 -1.885 . . . . 0.0 106.31 162.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.465 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.273 174.319 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.4 mt -147.8 -44.68 0.16 Allowed 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 163.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.485 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -47.72 -50.5 24.99 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 112.249 -2.25 . . . . 0.0 108.251 158.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 86.5 mt -70.5 -28.18 64.77 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.479 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.679 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.5 t90 -64.5 -47.12 80.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.7 0.682 . . . . 0.0 111.773 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.847 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -69.88 -10.32 58.08 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 92.3 mt -93.88 -20.91 19.61 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.186 170.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 56.2 m -73.17 -36.2 66.57 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.847 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -79.55 -24.01 42.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.307 173.227 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -83.74 -12.73 55.38 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.928 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.17 -16.0 63.04 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.274 176.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.451 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.5 t80 . . . . . 0 N--CA 1.442 -0.83 0 CA-C-O 122.049 0.928 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.713 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -164.63 -37.34 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 123.536 1.636 . . . . 0.0 107.779 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.713 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 2.1 mtp180 -48.31 -62.51 1.45 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 111.054 -2.793 . . . . 0.0 111.148 175.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.716 HD23 HD12 ' X' ' 14' ' ' LEU . 79.0 mt -76.78 -13.07 60.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.695 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.9 t90 -72.83 -40.91 65.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -75.26 0.13 17.62 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.61 0.719 . . . . 0.0 109.587 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.746 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 77.8 mt -105.54 -17.12 14.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.4 168.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 67.1 m -79.04 -38.64 36.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -72.62 -25.66 61.39 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 169.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -86.67 1.38 52.16 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.21 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' X' ' 15' ' ' SER . 47.1 m170 -66.7 -10.91 51.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 164.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.104 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.622 174.326 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 121.085 0.469 . . . . 0.0 111.972 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 65.5 mt -143.59 -42.67 0.28 Allowed 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 165.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.46 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -48.58 -45.32 37.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 111.984 -2.371 . . . . 0.0 108.64 158.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 95.7 mt -77.74 -31.05 51.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.214 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.78 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.6 t90 -60.56 -43.8 96.86 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.6 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.973 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.47 -3.32 23.67 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.068 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 87.0 mt -99.42 -23.22 15.2 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.019 168.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.487 ' HA ' ' ND1' ' X' ' 18' ' ' HIS . 60.6 m -76.38 -36.71 57.99 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.973 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -77.08 -28.71 54.69 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.723 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.57 -6.53 59.37 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.248 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.487 ' ND1' ' HA ' ' X' ' 15' ' ' SER . 20.0 m170 -57.35 -19.64 24.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.183 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.664 177.244 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.484 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.44 -0.931 0 CA-C-O 120.959 0.409 . . . . 0.0 110.695 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.939 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 84.1 mt -137.9 -33.49 0.7 Allowed 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 122.27 1.033 . . . . 0.0 109.909 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.56 -43.98 17.59 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 112.997 -1.911 . . . . 0.0 108.58 160.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 98.8 mt -90.01 -21.11 22.54 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.285 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.939 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.8 t90 -66.09 -38.99 89.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.064 -1.055 . . . . 0.0 111.257 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -70.88 0.75 6.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.715 0.769 . . . . 0.0 109.72 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.576 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.3 mt -110.44 -7.17 14.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.923 166.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 70.4 m -83.61 -40.32 19.19 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.669 0.788 . . . . 0.0 109.66 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -82.3 -13.64 56.64 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.312 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -99.23 4.41 46.65 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB2' ' O ' ' X' ' 15' ' ' SER . 5.8 m170 -62.5 -17.23 59.19 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 167.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.077 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.882 175.757 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.451 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.723 0 CA-C-O 121.384 0.611 . . . . 0.0 109.752 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.876 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 57.1 mt -138.75 -29.45 0.79 Allowed 'General case' 0 CA--C 1.491 -1.318 0 CA-C-O 122.264 1.031 . . . . 0.0 109.29 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -55.11 6.56 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.735 -2.03 . . . . 0.0 107.984 157.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 96.9 mt -76.93 -23.78 52.45 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.298 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.876 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 17.1 t90 -67.74 -42.01 82.52 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.62 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.08 1.48 8.95 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.565 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.757 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 46.0 mt -110.82 -3.24 15.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.943 165.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' X' ' 12' ' ' TRP . 74.9 m -80.84 -43.33 20.15 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 123.501 0.72 . . . . 0.0 109.702 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -78.72 -21.84 47.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.91 2.45 56.53 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.492 177.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.0 m170 -62.22 -18.86 62.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 167.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.998 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.777 175.607 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.453 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.445 -0.707 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.639 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 24.5 mt -150.41 -41.64 0.13 Allowed 'General case' 0 CA--C 1.493 -1.23 0 CA-C-O 122.822 1.296 . . . . 0.0 107.955 168.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -49.39 -48.64 46.86 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.053 -2.34 . . . . 0.0 108.714 162.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' X' ' 14' ' ' LEU . 32.3 tp -77.06 -24.41 51.96 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.712 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.639 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 14.6 t90 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.818 -0.551 . . . . 0.0 111.211 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 1.049 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -79.09 12.54 2.2 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.711 0.767 . . . . 0.0 109.695 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' X' ' 11' ' ' LEU . 52.3 mt -115.87 -9.47 11.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.032 166.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -84.2 -75.1 0.35 Allowed 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.661 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.0 -12.47 13.23 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.268 0.556 . . . . 0.0 110.127 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 1.049 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -99.62 13.12 34.63 Favored 'General case' 0 CA--C 1.483 -1.602 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 176.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 8.6 p80 -58.48 -23.09 56.91 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 112.576 -2.102 . . . . 0.0 107.104 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 CA-C-N 114.662 -1.153 . . . . 0.0 112.749 177.378 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HD1' ' X' ' 8' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.182 0.515 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.798 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 17.3 mt -99.49 -22.82 15.33 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 122.547 1.165 . . . . 0.0 110.049 -162.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -40.34 -52.86 2.66 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 112.109 -2.314 . . . . 0.0 109.837 157.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 98.3 mt -85.63 -28.61 24.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.139 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.798 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 22.4 t90 -65.42 -46.55 79.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.189 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -72.19 -5.59 36.77 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.012 0.434 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.0 mt -98.08 -16.31 19.63 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.122 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -67.47 -48.15 68.01 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.427 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -81.01 -8.04 59.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.738 174.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.844 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -90.85 -17.7 26.08 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -70.58 -11.17 60.76 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 167.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.809 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.564 173.885 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' X' ' 11' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.445 -0.718 0 CA-C-O 121.165 0.507 . . . . 0.0 109.722 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.837 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 39.2 mt -140.44 -28.61 0.71 Allowed 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 122.228 1.013 . . . . 0.0 109.832 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.03 9.63 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 112.957 -1.929 . . . . 0.0 108.552 159.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' X' ' 8' ' ' TYR . 56.1 mt -86.97 -17.53 32.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.917 -1.492 . . . . 0.0 110.284 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.837 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 23.5 t90 -58.66 -46.65 86.72 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.57 170.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.33 13.11 0.62 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.617 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 19.4 mt -127.19 -27.36 2.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.349 171.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 36.0 t -99.38 -34.67 10.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -172.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.703 HD23 ' HE1' ' X' ' 12' ' ' TRP . 61.5 tp -113.99 -23.58 9.5 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.231 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -89.86 8.41 32.23 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.73 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . 0.48 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.0 OUTLIER -57.86 -26.06 61.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.929 177.757 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.618 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.785 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 41.9 mt -148.99 -37.11 0.17 Allowed 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 122.391 1.091 . . . . 0.0 108.76 169.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.479 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -49.92 -45.13 50.7 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 112.674 -2.057 . . . . 0.0 109.072 162.492 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.533 HD23 HD12 ' X' ' 14' ' ' LEU . 36.4 mt -81.09 -30.25 34.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.688 175.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.785 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.2 t90 -66.71 -39.49 88.06 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.554 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.972 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -74.59 3.3 7.98 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.006 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 73.8 mt -102.87 -21.22 14.04 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.175 163.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 39.3 t -73.21 -44.62 59.41 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.802 0.841 . . . . 0.0 109.048 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -73.1 -25.85 61.02 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -87.0 -3.94 59.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.719 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -64.21 -12.44 40.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 166.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.085 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.818 174.287 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 121.39 0.614 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 9' ' ' LEU . . . . . 0.929 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 23.8 mt -142.04 -22.91 0.7 Allowed 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 122.71 1.243 . . . . 0.0 108.822 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 10' ' ' ARG . . . . . 0.574 ' HG2' ' N ' ' X' ' 11' ' ' LEU . 0.0 OUTLIER -57.9 -25.35 60.73 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 112.052 -2.34 . . . . 0.0 109.07 167.678 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.574 ' N ' ' HG2' ' X' ' 10' ' ' ARG . 63.3 mt -105.88 -25.68 12.04 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.881 174.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 12' ' ' TRP . . . . . 0.929 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.5 t90 -68.48 -41.86 79.51 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.421 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 13' ' ' ALA . . . . . 0.674 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.59 -6.65 45.59 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.315 0.578 . . . . 0.0 109.672 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.656 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.3 mt -97.76 -15.97 20.08 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.37 168.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -74.44 -41.64 60.5 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 16' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.8 OUTLIER -74.76 -20.55 59.77 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' X' X ' 17' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.9 -12.02 51.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -73.98 -9.4 58.6 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.789 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.493 173.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.548 ' O ' HG22 ' X' ' 5' ' ' THR . 18.5 ptmt -144.7 133.42 22.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -63.68 -14.37 51.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.332 -174.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -101.78 21.63 14.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.881 HG23 ' H ' ' X' ' 6' ' ' ALA . 1.6 t -64.1 -69.89 0.25 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.645 171.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.881 ' H ' HG23 ' X' ' 5' ' ' THR . . . 63.85 89.84 0.09 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 113.615 -1.63 . . . . 0.0 112.357 173.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 72.5 m 59.98 26.58 15.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.921 177.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.487 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.1 t80 -116.54 57.05 0.78 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.443 0.64 . . . . 0.0 109.3 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.779 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.9 mt -139.75 -34.44 0.56 Allowed 'General case' 0 CA--C 1.488 -1.423 0 CA-C-O 122.266 1.032 . . . . 0.0 108.834 177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.03 -53.3 12.85 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.202 159.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.401 HD23 HD12 ' X' ' 14' ' ' LEU . 96.1 mt -81.9 -29.66 32.27 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.435 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.779 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 3.5 t90 -68.76 -34.13 75.06 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 118.757 -1.177 . . . . 0.0 111.157 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.636 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.52 -1.47 18.69 Favored 'General case' 0 C--N 1.312 -1.035 0 O-C-N 121.102 -0.999 . . . . 0.0 109.45 178.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.461 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 84.0 mt -96.9 -18.86 19.23 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.4 164.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' X' ' 12' ' ' TRP . 51.1 m -72.9 -35.13 67.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.418 0.687 . . . . 0.0 109.657 174.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 2.8 pp -79.6 -14.13 59.03 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 171.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.969 ' HA ' ' HG2' ' X' ' 20' ' ' GLN . . . -85.07 -22.87 28.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -76.28 -8.33 56.85 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.808 169.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.85 -28.21 12.55 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.358 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.969 ' HG2' ' HA ' ' X' ' 17' ' ' ALA . 10.2 pt20 -79.21 -38.99 34.4 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.583 -178.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.421 ' HG ' ' HG3' ' X' ' 20' ' ' GLN . 79.5 mt -92.22 52.81 2.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 122.127 0.965 . . . . 0.0 109.637 176.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 43.5 m -168.89 -27.99 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 113.366 -1.743 . . . . 0.0 109.451 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 73.6 m -96.5 17.65 15.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.061 0.458 . . . . 0.0 110.9 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' X' ' 20' ' ' GLN . 31.5 mmtp -92.68 -53.2 4.28 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 172.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--O 1.252 1.233 0 O-C-N 124.034 0.834 . . . . 0.0 111.193 174.29 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.604 0.24 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' X' ' 4' ' ' HIS . 39.3 mmtm -88.61 76.04 8.2 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.12 -0.362 . . . . 0.0 111.922 -172.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m 69.1 -28.09 0.16 Allowed 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' X' ' 2' ' ' LYS . 38.8 m-70 -76.7 -5.95 50.11 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.733 0.301 . . . . 0.0 111.101 -179.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.584 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.9 OUTLIER -61.49 -96.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.496 170.225 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.584 ' H ' HG23 ' X' ' 5' ' ' THR . . . 68.94 -49.94 0.59 Allowed 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 124.26 1.024 . . . . 0.0 113.358 172.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -64.42 -29.84 70.89 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -176.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.522 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.4 t80 -91.06 99.92 12.86 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-O 122.108 0.956 . . . . 0.0 110.835 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.726 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -158.83 -39.18 0.06 Allowed 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 113.66 -1.609 . . . . 0.0 107.796 178.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.726 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 3.7 mtp180 -46.28 -66.61 0.38 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 111.141 -2.754 . . . . 0.0 111.142 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.522 ' HB2' ' HE1' ' X' ' 8' ' ' TYR . 97.6 mt -73.88 -12.57 60.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.616 178.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.579 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 4.4 t90 -76.28 -44.47 36.97 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 121.037 0.446 . . . . 0.0 110.647 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.643 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -70.78 -7.25 43.74 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 121.66 0.743 . . . . 0.0 109.277 177.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.605 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 78.8 mt -98.33 -19.58 17.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.283 169.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 66.1 m -72.97 -44.88 60.58 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.643 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.6 OUTLIER -74.11 -20.52 60.22 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.605 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -88.81 -5.81 57.8 Favored 'General case' 0 CA--C 1.504 -0.8 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.181 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' X' ' 15' ' ' SER . 27.5 m170 -69.73 -5.27 24.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 163.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.86 10.73 8.94 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.514 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.529 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 31.4 mm-40 -113.81 -55.6 2.49 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 173.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.42 36.53 0.84 Allowed 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 122.709 1.242 . . . . 0.0 109.451 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . 0.415 ' H ' ' C ' ' X' ' 20' ' ' GLN . 44.2 m -158.22 18.26 0.23 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 112.666 -2.061 . . . . 0.0 109.222 176.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 39.0 t -122.37 -64.93 1.15 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.575 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -77.52 -48.88 15.91 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.038 0.446 . . . . 0.0 110.326 175.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.945 -178.833 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' X' ' 2' ' ' LYS . 0.4 OUTLIER -140.72 166.0 25.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.275 -179.005 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 6.3 p -76.81 62.29 2.02 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -141.07 -53.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.556 -0.747 . . . . 0.0 108.987 171.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t -107.43 -126.22 0.25 Allowed 'General case' 0 N--CA 1.435 -1.177 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' X' ' 8' ' ' TYR . . . -170.6 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' X' ' 6' ' ' ALA . 52.4 m 68.01 -14.14 0.25 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.238 -173.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.587 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -94.14 64.71 3.31 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 121.089 0.471 . . . . 0.0 111.798 -172.615 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.6 mt -145.25 -48.47 0.23 Allowed 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 168.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -44.55 -54.05 6.45 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 112.495 -2.139 . . . . 0.0 108.158 156.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 98.2 mt -69.95 -26.8 64.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.818 -1.537 . . . . 0.0 111.443 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.694 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 11.2 t90 -66.05 -42.41 89.54 Favored 'General case' 0 N--CA 1.441 -0.922 0 C-N-CA 118.5 -1.28 . . . . 0.0 111.288 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.98 2.02 7.74 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 119.096 -1.042 . . . . 0.0 110.066 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.675 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 74.7 mt -101.59 -16.86 16.61 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.325 165.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.549 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 48.2 m -79.45 -35.05 41.0 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 123.758 0.823 . . . . 0.0 108.926 171.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 36.9 tp -69.34 -31.27 69.59 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.626 -1.17 . . . . 0.0 108.52 167.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -82.09 -10.21 59.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.752 177.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' X' ' 15' ' ' SER . 25.3 m170 -68.78 -11.39 60.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.37 7.57 9.03 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.551 177.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -113.23 -37.5 4.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.841 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 82.6 mt -89.82 59.58 4.67 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.922 0.867 . . . . 0.0 109.912 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 38.1 m -175.46 -31.94 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 113.749 -1.568 . . . . 0.0 108.392 -175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 17.2 t -80.71 94.87 6.45 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.935 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 53.01 82.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.928 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . 0.876 ' HA ' ' HE2' ' X' ' 25' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.311 -1.067 0 CA-C-O 118.652 -0.689 . . . . 0.0 109.464 177.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.869 0.366 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -146.48 10.23 1.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.514 -175.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -98.32 -50.5 4.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.12 0.486 . . . . 0.0 110.522 -177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -111.27 -26.1 9.34 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.938 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -110.59 -123.67 0.27 Allowed 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.363 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.02 -71.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.241 1.016 . . . . 0.0 111.024 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 35.8 p -131.84 -25.17 2.1 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.219 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.721 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.15 61.45 6.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -169.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.648 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 60.4 mt -148.06 -43.41 0.16 Allowed 'General case' 0 CA--C 1.491 -1.298 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 165.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.47 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -50.25 -49.25 53.65 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 112.133 -2.303 . . . . 0.0 107.743 157.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.721 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 97.6 mt -73.17 -21.09 60.76 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 113.787 -1.551 . . . . 0.0 111.235 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.705 ' HA ' ' HB2' ' X' ' 15' ' ' SER . 11.9 t90 -67.57 -41.8 83.58 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 119.052 -1.059 . . . . 0.0 111.863 172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.66 6.91 3.4 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.26 178.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 33.9 mt -119.92 4.59 10.95 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.486 -1.234 . . . . 0.0 109.722 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.705 ' HB2' ' HA ' ' X' ' 12' ' ' TRP . 25.0 t -83.54 -39.27 20.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 123.613 0.765 . . . . 0.0 108.96 178.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' X' ' 22' ' ' SER . 0.5 OUTLIER -96.34 -24.92 15.95 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.249 172.137 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' X' ' 13' ' ' ALA . . . -96.02 9.65 40.08 Favored 'General case' 0 N--CA 1.434 -1.231 0 C-N-CA 119.548 -0.861 . . . . 0.0 108.977 -177.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 1.1 p80 -60.77 -22.81 64.45 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 107.688 -1.226 . . . . 0.0 107.688 167.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.07 7.89 2.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.001 -1.0 . . . . 0.0 111.291 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.558 ' HB2' ' HB3' ' X' ' 23' ' ' SER . 15.6 pt20 38.62 38.86 0.28 Allowed 'General case' 0 C--N 1.348 0.531 0 C-N-CA 124.108 0.963 . . . . 0.0 112.588 -175.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -82.28 49.47 1.43 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.698 0.761 . . . . 0.0 110.656 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . 0.657 ' HB2' HD12 ' X' ' 16' ' ' LEU . 4.0 m 167.23 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 113.149 -1.841 . . . . 0.0 107.778 -172.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.558 ' HB3' ' HB2' ' X' ' 20' ' ' GLN . 9.4 t -82.84 36.88 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.63 -175.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -91.85 -12.87 32.43 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 165.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.813 -1.085 . . . . 0.0 108.995 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -119.34 -32.6 4.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -169.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -82.64 -32.04 28.45 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.176 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -89.65 -22.18 22.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.543 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 11.8 p -80.25 -80.99 0.13 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.397 0.618 . . . . 0.0 112.303 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.67 -54.05 50.94 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.568 -175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 66.4 m 53.29 37.32 24.99 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.422 0.63 . . . . 0.0 110.446 -176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.418 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 1.0 OUTLIER -157.91 61.11 0.47 Allowed 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -177.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.984 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -143.28 -36.59 0.37 Allowed 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.48 1.133 . . . . 0.0 109.126 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.404 ' HD3' ' H ' ' X' ' 10' ' ' ARG . 0.1 OUTLIER -42.46 -48.35 5.21 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.335 -2.211 . . . . 0.0 109.229 161.356 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.454 HD23 HD12 ' X' ' 14' ' ' LEU . 62.9 mt -88.97 -23.95 22.53 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.477 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.984 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.3 t90 -64.9 -41.78 95.3 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 118.573 0.624 . . . . 0.0 111.366 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.629 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.44 -5.14 30.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.214 0.531 . . . . 0.0 110.044 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.471 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 75.0 mt -104.74 -14.31 15.6 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.277 169.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 65.7 m -76.55 -44.43 34.82 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.629 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -72.42 -21.21 61.29 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 174.235 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -92.83 -5.03 51.93 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.047 178.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' X' ' 15' ' ' SER . 12.9 m170 -66.38 -13.86 61.26 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 164.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.42 -4.5 18.46 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.887 174.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' X' ' 17' ' ' ALA . 15.8 mm100 -92.3 -37.32 12.71 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.34 55.66 3.12 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.3 1.048 . . . . 0.0 109.283 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 50.3 m -171.95 -29.43 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 113.362 -1.745 . . . . 0.0 108.825 -173.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 12.9 p -70.71 142.18 51.5 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.624 -0.717 . . . . 0.0 109.559 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' X' ' 24' ' ' LYS . 11.6 mptt -80.61 68.81 6.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.289 0.566 . . . . 0.0 111.105 -174.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--O 1.248 0.994 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.33 173.525 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -136.12 60.82 1.66 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.025 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t 55.74 35.96 26.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.515 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 10.1 p80 38.34 79.99 0.03 OUTLIER 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 122.557 1.17 . . . . 0.0 112.47 -173.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.403 HG22 ' H ' ' X' ' 5' ' ' THR . 1.8 t -89.8 -112.98 0.07 Allowed 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.179 -178.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.703 ' HB3' ' HB2' ' X' ' 9' ' ' LEU . . . -170.64 124.53 0.68 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 177.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -44.53 -51.47 8.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.123 0.889 . . . . 0.0 112.244 -170.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.522 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER -114.34 42.08 2.16 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.278 0.561 . . . . 0.0 111.211 -178.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.847 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 58.0 mt -135.92 -19.34 1.55 Allowed 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.352 1.072 . . . . 0.0 109.558 171.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.47 -56.4 3.06 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 112.497 -2.138 . . . . 0.0 108.17 157.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.621 HD23 HD12 ' X' ' 14' ' ' LEU . 93.2 mt -82.92 -16.59 46.81 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 113.638 -1.619 . . . . 0.0 110.879 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.847 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 29.2 t90 -63.97 -46.52 84.29 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.821 170.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.961 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.62 14.29 0.83 Allowed 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.69 0.757 . . . . 0.0 109.991 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.848 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.1 mt -124.41 -17.45 6.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.024 169.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.469 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 68.7 m -83.48 -36.58 24.04 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 173.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.961 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -74.48 -28.21 60.91 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 169.391 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.848 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.82 1.1 51.08 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.536 175.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' X' ' 15' ' ' SER . 22.3 m170 -73.47 -0.45 15.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.03 0.919 . . . . 0.0 108.525 166.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.63 9.86 5.54 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.156 171.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.692 HE21 ' HA ' ' X' ' 20' ' ' GLN . 0.0 OUTLIER -114.71 -47.32 2.9 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 174.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 29.5 mt -102.46 32.48 3.55 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-O 122.256 1.026 . . . . 0.0 109.45 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 67.3 m -162.31 17.72 0.09 Allowed 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.799 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 33.0 p -91.99 -74.8 0.5 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -148.48 22.95 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--O 1.246 0.907 0 CA-C-N 114.242 -1.345 . . . . 0.0 108.477 -170.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 60.7 pttt . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.641 0.258 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -139.13 145.9 39.98 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.008 0.433 . . . . 0.0 110.496 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -76.55 20.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.325 -167.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -98.83 -16.21 18.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.575 -0.45 . . . . 0.0 109.884 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 6.2 p 63.52 125.09 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 124.575 1.15 . . . . 0.0 114.075 174.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.46 -47.36 4.12 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.267 -1.333 . . . . 0.0 110.362 174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 68.9 m 60.83 10.54 2.76 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 114.951 -1.022 . . . . 0.0 113.312 172.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.416 ' C ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER -97.02 67.99 2.26 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 120.919 0.39 . . . . 0.0 111.843 -173.394 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.792 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 37.3 mt -147.39 -42.38 0.17 Allowed 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 122.548 1.166 . . . . 0.0 108.858 170.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.455 ' H ' ' HE ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -43.36 -47.47 6.8 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 112.49 -2.141 . . . . 0.0 109.226 160.067 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -81.24 -26.76 35.58 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.95 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.792 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.7 t90 -63.14 -40.32 97.24 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.378 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.656 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -75.32 4.36 7.31 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.351 -0.54 . . . . 0.0 109.999 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -112.56 -5.28 14.03 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.757 166.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.7 m -83.83 -37.03 23.02 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.837 HD12 ' HB3' ' X' ' 22' ' ' SER . 0.5 OUTLIER -88.56 -27.57 21.3 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 172.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.529 ' N ' ' HG ' ' X' ' 16' ' ' LEU . . . -92.99 11.09 28.64 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -55.89 -28.09 55.06 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 166.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.45 4.2 1.76 Allowed 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.99 177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.518 ' H ' ' HA ' ' X' ' 17' ' ' ALA . 79.4 mt-30 53.89 26.31 6.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.595 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' X' ' 22' ' ' SER . 95.7 mt -84.62 57.75 4.52 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.824 0.821 . . . . 0.0 110.488 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . 0.837 ' HB3' HD12 ' X' ' 16' ' ' LEU . 48.4 t 166.72 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.304 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.482 ' HB3' ' HB3' ' X' ' 20' ' ' GLN . 23.0 t -68.52 -16.92 64.04 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.212 174.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' X' ' 24' ' ' LYS . 4.0 mmmp? 66.04 41.98 3.43 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 114.907 -1.042 . . . . 0.0 111.764 174.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.005 -0.998 . . . . 0.0 109.911 178.126 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -136.84 163.09 31.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.392 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -80.26 47.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 0.0 111.149 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -117.7 -46.82 2.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.619 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.434 ' HB ' ' HB3' ' X' ' 8' ' ' TYR . 20.8 p -135.76 116.65 14.15 Favored 'General case' 0 N--CA 1.418 -2.044 0 CA-C-N 115.45 -0.796 . . . . 0.0 108.909 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.32 90.54 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 114.048 -1.433 . . . . 0.0 112.15 -173.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 44.9 m -121.32 -18.06 7.46 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.865 0.364 . . . . 0.0 111.517 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.434 ' HB3' ' HB ' ' X' ' 5' ' ' THR . 1.0 OUTLIER -83.15 62.78 6.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -174.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.82 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 63.9 mt -145.84 -39.61 0.23 Allowed 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.498 1.142 . . . . 0.0 108.617 166.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.526 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -46.53 -41.8 14.76 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.01 161.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.625 HD23 HD12 ' X' ' 14' ' ' LEU . 94.9 mt -87.13 -24.11 24.63 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.441 175.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.82 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 10.6 t90 -61.74 -44.18 97.4 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 119.706 -0.798 . . . . 0.0 110.912 173.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.918 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -76.88 15.6 0.64 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.305 0.574 . . . . 0.0 110.456 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.738 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 45.8 mt -123.53 -20.18 5.63 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.302 168.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 46.6 m -87.62 -32.39 19.31 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.918 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -79.24 -27.76 42.44 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 167.307 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.738 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.99 3.2 39.59 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 119.407 -0.917 . . . . 0.0 110.401 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.442 ' HB2' ' O ' ' X' ' 15' ' ' SER . 15.3 m170 -68.81 -5.66 22.21 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.689 0.757 . . . . 0.0 109.098 168.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.91 12.25 5.2 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.026 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.664 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 64.1 tt0 -115.98 -23.86 8.36 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 176.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 86.3 mt -114.31 33.8 5.08 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-O 123.025 1.393 . . . . 0.0 108.807 170.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 52.4 m -155.46 19.05 0.41 Allowed 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.625 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 51.8 p -96.75 -134.6 0.23 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.153 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -65.18 -28.75 69.61 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt . . . . . 0 C--O 1.248 1.014 0 CA-C-N 114.247 -1.342 . . . . 0.0 108.054 167.468 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 42.2 tptt . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 121.492 0.663 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' X' ' 4' ' ' HIS . 66.0 mttm -90.26 30.89 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.271 -174.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t 70.75 -42.58 0.53 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.3 0.64 . . . . 0.0 111.145 -176.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . 0.462 ' HA ' ' OG ' ' X' ' 7' ' ' SER . 26.4 m170 -63.79 -2.47 1.81 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.765 0.826 . . . . 0.0 112.534 -176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -64.79 -18.51 65.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.591 0.71 . . . . 0.0 110.431 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' X' ' 7' ' ' SER . . . -161.57 -54.12 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.518 176.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.462 ' OG ' ' HA ' ' X' ' 4' ' ' HIS . 49.3 m 77.64 -34.9 0.2 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 124.386 1.074 . . . . 0.0 112.65 171.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.432 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER -111.85 66.51 0.64 Allowed 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.436 -173.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 64.5 mt -144.09 -40.1 0.28 Allowed 'General case' 0 CA--C 1.485 -1.532 0 CA-C-O 122.373 1.082 . . . . 0.0 109.502 175.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.4 -52.71 12.44 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 112.504 -2.135 . . . . 0.0 108.65 163.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.5 mt -85.25 -22.85 28.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.71 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.787 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 2.1 t90 -69.25 -35.3 75.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 118.516 -1.273 . . . . 0.0 110.916 175.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.546 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -71.48 -0.38 10.32 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.523 0.678 . . . . 0.0 109.632 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 33.3 mt -112.75 -5.44 13.92 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.716 166.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.604 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 31.9 t -85.72 -41.82 14.78 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 124.111 0.964 . . . . 0.0 109.293 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -76.97 -22.64 52.91 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 171.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.88 2.37 56.57 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.375 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.5 m170 -60.38 -20.1 58.31 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.533 168.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -119.54 5.85 11.08 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.731 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.516 ' HB2' ' HA ' ' X' ' 17' ' ' ALA . 15.8 mm100 -100.8 -39.86 7.6 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.79 53.2 2.69 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-O 121.842 0.83 . . . . 0.0 109.853 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 61.0 m -171.99 -29.6 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.597 -172.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' X' ' 24' ' ' LYS . 41.6 p -79.81 -15.59 57.14 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.416 -174.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' X' ' 23' ' ' SER . 35.6 mmtp 69.32 14.94 8.53 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.55 -177.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.285 -176.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 120.497 0.189 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -116.03 74.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 44.5 m 67.48 -56.96 0.45 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 168.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -67.65 -3.71 9.86 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -170.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.628 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.5 OUTLIER -54.99 -90.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 112.37 177.43 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.628 ' H ' HG23 ' X' ' 5' ' ' THR . . . -137.05 31.56 2.68 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.276 178.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 10.7 t -111.03 7.72 21.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-O 121.425 0.631 . . . . 0.0 110.93 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -89.24 61.63 5.81 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -171.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.646 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 47.5 mt -146.89 -45.26 0.18 Allowed 'General case' 0 CA--C 1.491 -1.307 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 166.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -45.59 -48.57 14.54 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-N 112.286 -2.233 . . . . 0.0 108.473 158.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.71 -26.95 58.0 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.64 177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.646 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.0 t90 -57.96 -46.16 85.55 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 118.984 0.811 . . . . 0.0 110.963 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 1.079 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -73.99 8.36 2.09 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.191 0.519 . . . . 0.0 110.615 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 34.5 mt -129.89 -6.1 4.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.433 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 70.2 m -117.13 -16.42 10.42 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.709 -0.796 . . . . 0.0 112.307 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.513 HD21 ' HD1' ' X' ' 12' ' ' TRP . 0.7 OUTLIER -148.52 -3.07 0.48 Allowed 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.209 169.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 1.079 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -108.81 6.25 25.35 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 167.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.688 ' HA ' HD12 ' X' ' 21' ' ' LEU . 0.7 OUTLIER -67.83 -14.19 62.76 Favored 'General case' 0 N--CA 1.425 -1.676 0 CA-C-N 113.053 -1.885 . . . . 0.0 106.31 162.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.15 -21.28 27.64 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 114.284 -1.326 . . . . 0.0 110.273 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.608 HE21 ' HB1' ' X' ' 17' ' ' ALA . 5.7 tt0 -76.35 -33.7 58.97 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' X' ' 18' ' ' HIS . 4.7 mt -81.95 49.3 1.35 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-O 122.169 0.985 . . . . 0.0 110.058 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 69.8 m -171.53 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 113.634 -1.621 . . . . 0.0 108.867 -173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 34.8 m -105.25 -19.93 13.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.404 -0.817 . . . . 0.0 112.1 -174.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' X' ' 24' ' ' LYS . 5.3 mmmp? -100.87 28.94 4.85 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 120.832 0.349 . . . . 0.0 111.668 -179.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.846 177.256 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.42 162.37 26.5 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 -176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.7 m -82.28 8.95 9.82 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.256 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -100.14 11.94 38.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.136 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 24.0 p -54.54 -46.49 73.6 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.152 0.977 . . . . 0.0 110.292 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.22 21.56 12.01 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.654 166.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 29.8 t -128.61 -72.01 0.62 Allowed 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.326 -0.55 . . . . 0.0 111.557 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -85.48 65.21 9.07 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -167.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 53.4 mt -147.8 -44.68 0.16 Allowed 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 163.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.485 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -47.72 -50.5 24.99 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 112.249 -2.25 . . . . 0.0 108.251 158.703 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 86.5 mt -70.5 -28.18 64.77 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 114.307 -1.315 . . . . 0.0 111.479 175.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.679 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.5 t90 -64.5 -47.12 80.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 118.7 0.682 . . . . 0.0 111.773 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.847 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -69.88 -10.32 58.08 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.925 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 92.3 mt -93.88 -20.91 19.61 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.186 170.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 56.2 m -73.17 -36.2 66.57 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.847 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -79.55 -24.01 42.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.307 173.227 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.615 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -83.74 -12.73 55.38 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 120.459 -0.496 . . . . 0.0 109.928 177.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.17 -16.0 63.04 Favored 'General case' 0 CA--C 1.51 -0.582 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 168.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.06 -2.47 25.89 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.274 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -90.57 -46.85 8.05 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 174.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.67 58.68 2.32 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 122.215 1.007 . . . . 0.0 109.587 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 63.8 m -172.58 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.161 -1.836 . . . . 0.0 107.368 -175.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.534 ' C ' ' H ' ' X' ' 25' ' ' LYS . 38.9 t -74.28 -33.45 63.25 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.555 -1.202 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' X' ' 23' ' ' SER . 14.1 mptt 71.67 -28.74 0.19 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.67 0.606 . . . . 0.0 110.621 -172.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' X' ' 23' ' ' SER . 34.1 mmtp . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.092 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.483 1.198 0 CA-C-O 120.506 0.193 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.437 ' O ' HG22 ' X' ' 5' ' ' THR . 96.9 mttt -132.7 143.79 49.87 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.73 48.68 0.38 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -171.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -126.52 -17.41 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.535 173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.607 HG23 ' H ' ' X' ' 6' ' ' ALA . 1.3 t -84.41 -101.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.403 0.62 . . . . 0.0 112.087 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.607 ' H ' HG23 ' X' ' 5' ' ' THR . . . -78.48 36.74 0.26 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.24 -177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 47.7 m -109.83 -47.64 3.32 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.834 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.451 ' HE1' ' HB2' ' X' ' 11' ' ' LEU . 1.5 t80 -100.24 103.2 14.63 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 122.049 0.928 . . . . 0.0 110.748 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.713 ' HG ' ' N ' ' X' ' 10' ' ' ARG . 1.7 pt? -164.63 -37.34 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 123.536 1.636 . . . . 0.0 107.779 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.713 ' N ' ' HG ' ' X' ' 9' ' ' LEU . 2.1 mtp180 -48.31 -62.51 1.45 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 111.054 -2.793 . . . . 0.0 111.148 175.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.716 HD23 HD12 ' X' ' 14' ' ' LEU . 79.0 mt -76.78 -13.07 60.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.542 177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.695 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 5.9 t90 -72.83 -40.91 65.38 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-O 120.808 0.337 . . . . 0.0 110.661 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.99 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -75.26 0.13 17.62 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 121.61 0.719 . . . . 0.0 109.587 178.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.746 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 77.8 mt -105.54 -17.12 14.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 114.904 -1.043 . . . . 0.0 109.4 168.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 67.1 m -79.04 -38.64 36.0 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.99 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -72.62 -25.66 61.39 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 169.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -86.67 1.38 52.16 Favored 'General case' 0 CA--C 1.507 -0.705 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.21 176.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' X' ' 15' ' ' SER . 47.1 m170 -66.7 -10.91 51.61 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 164.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -105.23 -17.68 14.38 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.622 174.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.482 ' HG3' ' HA ' ' X' ' 17' ' ' ALA . 42.4 mt-30 -86.99 -38.66 16.39 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.541 ' HA ' ' HB2' ' X' ' 25' ' ' LYS . 60.1 mt -81.15 56.32 2.79 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 122.334 1.064 . . . . 0.0 108.92 172.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 57.8 m -171.63 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 112.799 -2.0 . . . . 0.0 107.518 -174.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 14.3 t -81.02 59.04 3.66 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.448 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' X' ' 24' ' ' LYS . 62.5 mmtt 66.12 45.38 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.698 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' HA ' ' X' ' 21' ' ' LEU . 62.1 mttp . . . . . 0 C--O 1.248 0.995 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.339 173.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.755 0.312 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' X' ' 5' ' ' THR . 17.9 ptpt -146.99 18.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.035 0.445 . . . . 0.0 110.608 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -101.95 -52.82 3.08 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.228 0.537 . . . . 0.0 109.885 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -102.99 -5.4 23.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.43 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.517 ' O ' ' HA ' ' X' ' 2' ' ' LYS . 2.0 t -148.35 163.78 36.07 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.477 0.656 . . . . 0.0 110.411 176.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -104.54 -6.69 20.34 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.097 -1.411 . . . . 0.0 110.249 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 15.7 t 65.5 1.81 1.81 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.867 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' X' ' 11' ' ' LEU . 0.9 OUTLIER -88.55 58.66 4.78 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 121.755 -0.591 . . . . 0.0 111.972 -172.083 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 65.5 mt -143.59 -42.67 0.28 Allowed 'General case' 0 CA--C 1.489 -1.368 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 165.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.46 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -48.58 -45.32 37.8 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 111.984 -2.371 . . . . 0.0 108.64 158.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.545 ' HB2' ' HA ' ' X' ' 8' ' ' TYR . 95.7 mt -77.74 -31.05 51.93 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.214 176.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.78 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.6 t90 -60.56 -43.8 96.86 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.6 177.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.973 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.47 -3.32 23.67 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.068 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 87.0 mt -99.42 -23.22 15.2 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.019 168.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.487 ' HA ' ' ND1' ' X' ' 18' ' ' HIS . 60.6 m -76.38 -36.71 57.99 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.973 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.1 OUTLIER -77.08 -28.71 54.69 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 172.723 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -84.57 -6.53 59.37 Favored 'General case' 0 CA--C 1.498 -1.055 0 C-N-CA 120.311 -0.555 . . . . 0.0 110.248 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.487 ' ND1' ' HA ' ' X' ' 15' ' ' SER . 20.0 m170 -57.35 -19.64 24.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.45 17.19 3.15 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.664 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.486 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 2.3 pt20 -102.97 -30.73 10.61 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.418 173.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.66 56.23 3.47 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.836 0.827 . . . . 0.0 110.152 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 89.5 p 175.77 -29.81 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 113.688 -1.596 . . . . 0.0 109.982 -174.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -114.64 69.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.853 -171.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -152.18 -67.78 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.187 172.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.015 178.731 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 121.201 0.524 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -156.74 18.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 177.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 10.7 p -140.54 -92.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.341 . . . . 0.0 111.244 -175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -101.48 34.39 2.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.955 0.407 . . . . 0.0 111.682 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.497 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.5 OUTLIER -68.09 -97.49 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.659 172.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.497 ' H ' HG23 ' X' ' 5' ' ' THR . . . -139.82 -54.08 0.54 Allowed 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.976 174.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 37.6 t 74.79 -24.57 0.21 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.362 -0.835 . . . . 0.0 112.444 171.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.484 ' O ' HD23 ' X' ' 9' ' ' LEU . 0.8 OUTLIER -116.68 55.72 0.81 Allowed 'General case' 0 C--N 1.313 -1.006 0 O-C-N 121.671 -0.643 . . . . 0.0 110.695 -175.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.939 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 84.1 mt -137.9 -33.49 0.7 Allowed 'General case' 0 CA--C 1.488 -1.41 0 CA-C-O 122.27 1.033 . . . . 0.0 109.909 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.56 -43.98 17.59 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 112.997 -1.911 . . . . 0.0 108.58 160.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 98.8 mt -90.01 -21.11 22.54 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.296 -1.32 . . . . 0.0 111.285 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.939 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.8 t90 -66.09 -38.99 89.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 119.064 -1.055 . . . . 0.0 111.257 173.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -70.88 0.75 6.61 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 121.715 0.769 . . . . 0.0 109.72 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.576 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 38.3 mt -110.44 -7.17 14.8 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.923 166.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.585 ' O ' ' HB2' ' X' ' 18' ' ' HIS . 70.4 m -83.61 -40.32 19.19 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 123.669 0.788 . . . . 0.0 109.66 177.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -82.3 -13.64 56.64 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.312 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.576 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -99.23 4.41 46.65 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.585 ' HB2' ' O ' ' X' ' 15' ' ' SER . 5.8 m170 -62.5 -17.23 59.19 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 167.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.7 8.17 16.12 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.882 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' X' ' 17' ' ' ALA . 49.9 mt-30 -115.29 -5.61 12.36 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.951 0.405 . . . . 0.0 110.699 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 82.1 mt -117.02 57.6 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.595 0.712 . . . . 0.0 109.544 176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m 170.97 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 113.498 -1.683 . . . . 0.0 108.326 -172.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' X' ' 24' ' ' LYS . 22.7 t -132.17 146.24 51.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.498 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.979 ' HA ' ' HE2' ' X' ' 24' ' ' LYS . 9.1 mmpt? 75.04 -16.0 0.61 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.801 0.688 . . . . 0.0 112.164 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.843 -0.599 . . . . 0.0 112.06 174.451 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.782 0.325 . . . . 0.0 111.73 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -164.39 34.99 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.193 0.52 . . . . 0.0 110.594 -176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 22.0 t -123.81 -29.76 3.64 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.466 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . 0.496 ' HA ' ' HB3' ' X' ' 7' ' ' SER . 21.4 m170 -122.44 15.79 10.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.302 177.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.76 HG23 ' H ' ' X' ' 6' ' ' ALA . 0.6 OUTLIER -59.83 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.987 0.899 . . . . 0.0 111.661 174.547 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.76 ' H ' HG23 ' X' ' 5' ' ' THR . . . -102.54 38.98 1.59 Allowed 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.502 -1.226 . . . . 0.0 110.725 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' X' ' 4' ' ' HIS . 4.0 p -50.88 -48.54 60.27 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -174.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.451 ' O ' HD23 ' X' ' 9' ' ' LEU . 1.0 OUTLIER -109.46 51.52 0.75 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.384 0.611 . . . . 0.0 109.752 173.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.876 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 57.1 mt -138.75 -29.45 0.79 Allowed 'General case' 0 CA--C 1.491 -1.318 0 CA-C-O 122.264 1.031 . . . . 0.0 109.29 174.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.492 ' HD3' ' O ' ' X' ' 6' ' ' ALA . 0.0 OUTLIER -45.5 -55.11 6.56 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.735 -2.03 . . . . 0.0 107.984 157.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' HB2' ' CD1' ' X' ' 8' ' ' TYR . 96.9 mt -76.93 -23.78 52.45 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 113.606 -1.634 . . . . 0.0 111.298 178.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.876 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 17.1 t90 -67.74 -42.01 82.52 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.847 -1.141 . . . . 0.0 111.62 174.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -73.08 1.48 8.95 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.565 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.757 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 46.0 mt -110.82 -3.24 15.81 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.943 165.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' X' ' 12' ' ' TRP . 74.9 m -80.84 -43.33 20.15 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 123.501 0.72 . . . . 0.0 109.702 176.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.495 ' CD2' ' HA ' ' X' ' 13' ' ' ALA . 0.4 OUTLIER -78.72 -21.84 47.48 Favored 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 171.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.757 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -91.91 2.45 56.53 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.492 177.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' X' ' 15' ' ' SER . 2.0 m170 -62.22 -18.86 62.29 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 167.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.69 6.81 21.92 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.777 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.455 ' H ' ' C ' ' X' ' 17' ' ' ALA . 90.3 mt-30 -108.66 -24.11 11.49 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.086 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' X' ' 22' ' ' SER . 65.3 mt -76.75 61.41 1.86 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.571 0.7 . . . . 0.0 109.754 174.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' X' ' 21' ' ' LEU . 39.7 t 169.07 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 113.99 -1.459 . . . . 0.0 107.911 -171.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -105.47 -75.84 0.62 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.338 -0.847 . . . . 0.0 111.318 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -85.34 -37.09 20.31 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.113 0.482 . . . . 0.0 111.475 -175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' X' ' 21' ' ' LEU . 68.0 mttm . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.647 -0.692 . . . . 0.0 109.942 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.904 ' HA ' ' HE2' ' X' ' 2' ' ' LYS . 10.2 mmpt? -98.75 139.13 34.89 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 9.7 p -59.34 -22.55 61.47 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.49 -9.19 57.77 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 27.1 p -57.0 -45.81 82.74 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.448 0.642 . . . . 0.0 112.079 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . 72.06 -68.29 0.23 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 113.727 -1.579 . . . . 0.0 112.425 171.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 17.7 m -134.21 -19.61 1.95 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-O 120.942 0.401 . . . . 0.0 111.474 -176.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.453 ' C ' ' CD1' ' X' ' 8' ' ' TYR . 0.9 OUTLIER -86.1 71.94 10.49 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.134 -172.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.639 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 24.5 mt -150.41 -41.64 0.13 Allowed 'General case' 0 CA--C 1.493 -1.23 0 CA-C-O 122.822 1.296 . . . . 0.0 107.955 168.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' X' ' 14' ' ' LEU . 0.0 OUTLIER -49.39 -48.64 46.86 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 112.053 -2.34 . . . . 0.0 108.714 162.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' X' ' 14' ' ' LEU . 32.3 tp -77.06 -24.41 51.96 Favored 'General case' 0 N--CA 1.429 -1.516 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.712 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.639 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 14.6 t90 -62.56 -44.66 95.79 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.818 -0.551 . . . . 0.0 111.211 171.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 1.049 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -79.09 12.54 2.2 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.711 0.767 . . . . 0.0 109.695 177.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' X' ' 11' ' ' LEU . 52.3 mt -115.87 -9.47 11.82 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.032 166.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 32.0 m -84.2 -75.1 0.35 Allowed 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.661 177.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.0 -12.47 13.23 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 121.268 0.556 . . . . 0.0 110.127 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 1.049 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -99.62 13.12 34.63 Favored 'General case' 0 CA--C 1.483 -1.602 0 N-CA-C 105.356 -2.09 . . . . 0.0 105.356 176.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.531 ' HB3' ' O ' ' X' ' 14' ' ' LEU . 8.6 p80 -58.48 -23.09 56.91 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 112.576 -2.102 . . . . 0.0 107.104 172.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -141.16 7.55 2.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.662 -1.153 . . . . 0.0 112.749 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 55.6 37.31 28.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.796 0.808 . . . . 0.0 109.889 -177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.692 ' O ' ' HB2' ' X' ' 22' ' ' SER . 86.6 mt -107.1 105.47 15.49 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . 0.692 ' HB2' ' O ' ' X' ' 21' ' ' LEU . 15.3 m 86.43 -9.6 0.69 Allowed 'General case' 0 C--N 1.321 -0.648 0 O-C-N 125.412 1.695 . . . . 0.0 110.637 -173.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . . . . . . . . . 16.9 t -71.76 120.39 17.28 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm 72.62 3.36 4.66 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.745 0.818 . . . . 0.0 111.909 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' X' ' 22' ' ' SER . 23.3 ttmm . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.929 -0.557 . . . . 0.0 109.531 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' X' ' 3' ' ' SER . 60.6 pttt -163.51 -43.74 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 -177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' X' ' 2' ' ' LYS . 9.5 t -61.25 -28.43 69.17 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -164.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -106.78 -16.89 14.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.389 -0.524 . . . . 0.0 111.86 -175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -109.96 -85.12 0.55 Allowed 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' X' ' 10' ' ' ARG . . . -52.3 -48.81 65.16 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.914 -1.039 . . . . 0.0 112.309 -173.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . 0.515 ' HA ' ' HE ' ' X' ' 10' ' ' ARG . 24.7 m -58.64 -24.75 61.77 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -175.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.541 ' O ' ' HD1' ' X' ' 8' ' ' TYR . 0.8 OUTLIER -93.54 -34.43 13.36 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.182 0.515 . . . . 0.0 111.582 -175.12 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.798 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 17.3 mt -99.49 -22.82 15.33 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-O 122.547 1.165 . . . . 0.0 110.049 -162.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.515 ' HE ' ' HA ' ' X' ' 7' ' ' SER . 0.0 OUTLIER -40.34 -52.86 2.66 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 112.109 -2.314 . . . . 0.0 109.837 157.293 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 98.3 mt -85.63 -28.61 24.66 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.715 -1.13 . . . . 0.0 111.139 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.798 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 22.4 t90 -65.42 -46.55 79.52 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.189 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.462 ' HA ' ' CD2' ' X' ' 16' ' ' LEU . . . -72.19 -5.59 36.77 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-O 121.012 0.434 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.844 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.0 mt -98.08 -16.31 19.63 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.122 167.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 49.2 m -67.47 -48.15 68.01 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 121.692 -0.63 . . . . 0.0 109.427 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' X' ' 20' ' ' GLN . 0.6 OUTLIER -81.01 -8.04 59.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.738 174.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.844 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -90.85 -17.7 26.08 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -70.58 -11.17 60.76 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 167.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' X' ' 23' ' ' SER . . . -100.04 -2.14 35.14 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.564 173.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.832 ' HA ' ' HB3' ' X' ' 24' ' ' LYS . 77.3 mt-30 -103.5 -58.12 1.93 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.194 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 87.7 mt -75.53 63.67 1.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.408 0.623 . . . . 0.0 110.387 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.07 -24.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.976 -174.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.571 ' HB3' ' O ' ' X' ' 19' ' ' ALA . 36.1 t -138.96 -73.99 0.38 Allowed 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.51 -175.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . 0.832 ' HB3' ' HA ' ' X' ' 20' ' ' GLN . 22.3 tptm -63.33 -43.87 96.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 122.819 0.448 . . . . 0.0 112.086 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt . . . . . 0 C--O 1.251 1.168 0 O-C-N 123.521 0.513 . . . . 0.0 111.655 -174.606 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.568 0.223 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.643 ' O ' HG22 ' X' ' 5' ' ' THR . 97.1 mttt -138.18 -145.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 121.19 -0.204 . . . . 0.0 111.054 -177.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -68.79 -2.25 9.0 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . 0.449 ' HA ' ' HB2' ' X' ' 8' ' ' TYR . 30.5 m-70 -82.7 8.64 11.55 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.643 HG22 ' O ' ' X' ' 2' ' ' LYS . 2.5 t -94.58 -107.74 0.13 Allowed 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.827 0.346 . . . . 0.0 111.093 173.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.62 ' H ' HG23 ' X' ' 5' ' ' THR . . . -61.39 -34.04 74.68 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 123.21 0.604 . . . . 0.0 112.492 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 67.3 m -79.5 3.48 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.269 0.557 . . . . 0.0 111.713 -178.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' X' ' 11' ' ' LEU . 1.0 OUTLIER -112.43 58.6 0.64 Allowed 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 121.165 0.507 . . . . 0.0 109.722 178.669 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.837 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 39.2 mt -140.44 -28.61 0.71 Allowed 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 122.228 1.013 . . . . 0.0 109.832 177.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.49 -50.03 9.63 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 112.957 -1.929 . . . . 0.0 108.552 159.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' X' ' 8' ' ' TYR . 56.1 mt -86.97 -17.53 32.86 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 113.917 -1.492 . . . . 0.0 110.284 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.837 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 23.5 t90 -58.66 -46.65 86.72 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.57 170.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.727 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . . . -74.33 13.11 0.62 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.617 -177.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' X' ' 18' ' ' HIS . 19.4 mt -127.19 -27.36 2.97 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.349 171.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 36.0 t -99.38 -34.67 10.2 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.793 0.33 . . . . 0.0 111.027 -172.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.703 HD23 ' HE1' ' X' ' 12' ' ' TRP . 61.5 tp -113.99 -23.58 9.5 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.231 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.727 ' HB3' ' HA ' ' X' ' 13' ' ' ALA . . . -89.86 8.41 32.23 Favored 'General case' 0 CA--C 1.501 -0.937 0 C-N-CA 118.924 -1.11 . . . . 0.0 108.73 175.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . 0.65 ' HA ' HD12 ' X' ' 21' ' ' LEU . 1.0 OUTLIER -57.86 -26.06 61.58 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 167.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.82 -3.45 45.59 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.929 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.514 ' HB2' ' HB1' ' X' ' 17' ' ' ALA . 27.7 mt-30 -101.26 2.18 39.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.787 0.803 . . . . 0.0 109.049 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . 0.65 HD12 ' HA ' ' X' ' 18' ' ' HIS . 12.7 mt -95.19 13.41 25.5 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 122.59 1.186 . . . . 0.0 108.96 173.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 49.6 m -162.3 16.61 0.09 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 112.839 -1.982 . . . . 0.0 109.982 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' X' ' 20' ' ' GLN . 5.7 p -70.26 82.16 0.54 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.966 0.413 . . . . 0.0 111.874 -178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.03 27.02 15.82 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.177 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.81 -179.317 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 121.141 0.496 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -122.51 34.73 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 49.7 m 70.55 -66.13 0.3 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.38 178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.57 24.2 12.74 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -170.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 5.0 p -89.63 -87.35 0.18 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.074 0.464 . . . . 0.0 111.521 176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -163.5 110.73 1.17 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.14 177.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 34.7 t -126.8 -31.75 2.64 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.661 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . 0.435 ' O ' ' HG ' ' X' ' 9' ' ' LEU . 0.9 OUTLIER -82.56 66.31 8.1 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -173.687 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.785 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 41.9 mt -148.99 -37.11 0.17 Allowed 'General case' 0 CA--C 1.489 -1.374 0 CA-C-O 122.391 1.091 . . . . 0.0 108.76 169.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.479 ' NE ' ' H ' ' X' ' 10' ' ' ARG . 0.0 OUTLIER -49.92 -45.13 50.7 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 112.674 -2.057 . . . . 0.0 109.072 162.492 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.533 HD23 HD12 ' X' ' 14' ' ' LEU . 36.4 mt -81.09 -30.25 34.72 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.688 175.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.785 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 9.2 t90 -66.71 -39.49 88.06 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 118.692 -1.203 . . . . 0.0 111.554 176.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.972 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -74.59 3.3 7.98 Favored 'General case' 0 C--N 1.31 -1.131 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.006 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 73.8 mt -102.87 -21.22 14.04 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.175 163.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 39.3 t -73.21 -44.62 59.41 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 123.802 0.841 . . . . 0.0 109.048 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.972 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.2 OUTLIER -73.1 -25.85 61.02 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 172.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.596 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -87.0 -3.94 59.13 Favored 'General case' 0 CA--C 1.506 -0.748 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.719 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -64.21 -12.44 40.68 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 166.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' X' ' 23' ' ' SER . . . -117.15 1.74 12.54 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.818 174.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.579 ' HB3' ' HA ' ' X' ' 17' ' ' ALA . 32.6 tt0 -95.97 -41.61 8.69 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 83.5 mt -90.66 34.66 0.89 Allowed 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.553 1.168 . . . . 0.0 109.302 173.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . 0.412 ' H ' ' C ' ' X' ' 20' ' ' GLN . 58.9 m -157.63 8.62 0.17 Allowed 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 112.721 -2.036 . . . . 0.0 110.374 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' X' ' 19' ' ' ALA . 41.6 t -80.62 -80.72 0.14 Allowed 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.82 0.343 . . . . 0.0 110.12 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -84.31 -35.95 22.93 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.664 0.745 . . . . 0.0 109.001 174.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--O 1.252 1.215 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.393 177.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 1' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 2' ' ' LYS . . . . . 0.6 ' HA ' ' O ' ' X' ' 5' ' ' THR . 21.6 ptmt -158.27 24.79 0.25 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.471 . . . . 0.0 111.301 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -113.19 -51.44 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.955 0.407 . . . . 0.0 110.062 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 4' ' ' HIS . . . . . . . . . . . . . 50.6 m-70 -88.53 -25.1 22.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.197 0.523 . . . . 0.0 110.381 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.6 ' O ' ' HA ' ' X' ' 2' ' ' LYS . 40.7 p -128.68 118.45 22.91 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 175.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 6' ' ' ALA . . . . . 0.605 ' HB1' HD12 ' X' ' 9' ' ' LEU . . . -62.31 -43.45 98.81 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.496 -175.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 7' ' ' SER . . . . . . . . . . . . . 72.5 m 62.19 1.22 0.67 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.14 35.17 0.25 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.39 0.614 . . . . 0.0 110.238 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 9' ' ' LEU . . . . . 0.929 ' HA ' ' HB3' ' X' ' 12' ' ' TRP . 23.8 mt -142.04 -22.91 0.7 Allowed 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 122.71 1.243 . . . . 0.0 108.822 175.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 10' ' ' ARG . . . . . 0.574 ' HG2' ' N ' ' X' ' 11' ' ' LEU . 0.0 OUTLIER -57.9 -25.35 60.73 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 112.052 -2.34 . . . . 0.0 109.07 167.678 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.574 ' N ' ' HG2' ' X' ' 10' ' ' ARG . 63.3 mt -105.88 -25.68 12.04 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.881 174.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 12' ' ' TRP . . . . . 0.929 ' HB3' ' HA ' ' X' ' 9' ' ' LEU . 8.5 t90 -68.48 -41.86 79.51 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.421 177.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 13' ' ' ALA . . . . . 0.674 ' HA ' HD23 ' X' ' 16' ' ' LEU . . . -72.59 -6.65 45.59 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-O 121.315 0.578 . . . . 0.0 109.672 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.656 ' HA ' ' HB3' ' X' ' 17' ' ' ALA . 96.3 mt -97.76 -15.97 20.08 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.37 168.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 15' ' ' SER . . . . . . . . . . . . . 50.4 m -74.44 -41.64 60.5 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 16' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' X' ' 13' ' ' ALA . 0.8 OUTLIER -74.76 -20.55 59.77 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 172.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 17' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' X' ' 14' ' ' LEU . . . -85.9 -12.02 51.7 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -73.98 -9.4 58.6 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 168.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' X' ' 23' ' ' SER . . . -98.78 -3.66 35.12 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.493 173.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -106.59 -42.34 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.628 177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 21' ' ' LEU . . . . . . . . . . . . . 59.6 mt -82.34 54.08 2.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.535 0.683 . . . . 0.0 110.209 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 22' ' ' SER . . . . . . . . . . . . . 15.6 m 177.82 -22.56 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.77 -1.559 . . . . 0.0 110.302 -172.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 23' ' ' SER . . . . . 0.453 ' HB3' ' O ' ' X' ' 19' ' ' ALA . 35.3 p -65.9 -77.89 0.06 Allowed 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -173.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -116.15 -8.85 11.73 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 -175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.42 -177.469 . . . . . . . . 0 0 . 1 stop_ save_