data_2jtw_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 2jtw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.583 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.51 -49.82 0.09 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.196 0.522 . . . . 0.0 110.373 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.2 -67.27 0.81 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.874 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.2 m -45.03 -57.31 3.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.442 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.904 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.65 -45.1 27.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.849 178.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.676 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.33 -46.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -178.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.874 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.87 -42.97 72.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.872 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.904 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.88 -67.82 0.23 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.296 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.676 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.98 -32.87 74.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.383 -179.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.72 -47.93 67.93 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.209 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -52.61 -52.62 54.52 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.975 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.6 m -51.53 -55.24 20.12 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.303 176.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.684 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.2 tp -37.96 -37.48 0.25 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.236 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.674 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.52 -46.67 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.112 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.208 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -42.47 -50.65 5.2 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 122.522 1.154 . . . . 0.0 112.873 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.208 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.91 -27.53 39.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.083 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.684 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.9 mm-40 -74.43 -23.31 58.91 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.704 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.251 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' TYR . 6.3 m170 . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -34.31 -55.08 0.52 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.709 0.766 . . . . 0.0 109.786 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.2 -49.82 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.539 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.904 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 1.8 m -52.44 -60.38 3.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.325 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.944 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.95 -44.0 60.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 178.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.684 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.24 -47.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.009 -178.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.904 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.12 -42.64 73.22 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.631 -0.827 . . . . 0.0 109.707 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.944 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.17 -68.28 0.18 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.171 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.684 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.11 -32.36 74.02 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.496 -178.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.81 -50.36 57.27 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.23 -51.15 60.01 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.978 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 42.4 m -52.09 -54.98 23.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.0 tp -39.22 -35.75 0.27 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.124 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.678 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.32 -44.98 54.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.174 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.174 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -45.59 -49.65 13.91 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.523 1.154 . . . . 0.0 112.35 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.174 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.55 -28.67 46.06 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.444 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.2 mm-40 -67.95 -29.98 69.16 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.795 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.9 pp . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.064 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.558 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.3 -50.04 0.12 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.08 0.467 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -86.66 -67.25 0.83 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.604 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.783 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -44.8 -56.45 4.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.427 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.894 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.34 -44.86 62.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.223 0.535 . . . . 0.0 110.944 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.69 -47.99 2.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 -177.391 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.783 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -56.27 -41.24 75.5 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.999 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.894 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.56 -68.33 0.21 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.31 -1.314 . . . . 0.0 112.32 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.752 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.38 -32.5 73.93 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.951 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . . . -67.43 -51.64 49.2 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 3.6 mm? -52.63 -51.27 60.82 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.009 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 45.7 m -51.65 -56.76 11.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.645 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.614 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -37.39 -36.74 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.412 178.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.632 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.38 -48.01 65.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.797 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.185 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -42.77 -54.75 3.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.488 1.137 . . . . 0.0 113.08 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.185 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -76.58 -27.42 55.81 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.568 -1.651 . . . . 0.0 107.096 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.614 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -67.39 -22.9 65.53 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.684 178.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.123 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.01 -49.11 0.1 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 110.288 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.0 -67.69 0.78 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.809 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.889 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 15.0 m -45.28 -57.04 4.27 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.588 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.898 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.161 0.505 . . . . 0.0 110.714 178.579 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.684 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.37 -46.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.158 -178.233 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.889 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.68 -43.22 72.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.974 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.898 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.88 0.22 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.192 -1.367 . . . . 0.0 112.259 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.684 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.17 -32.67 74.47 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.489 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.82 -49.5 65.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.334 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -52.97 -52.13 59.22 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 176.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.083 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.3 m -50.81 -54.08 26.66 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.563 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -41.03 -35.98 0.61 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.077 178.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.789 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.14 -41.3 60.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.119 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.282 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -47.2 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.92 1.343 . . . . 0.0 111.477 179.544 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.282 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -54.14 -26.29 26.89 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 113.725 -1.58 . . . . 0.0 108.743 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.85 -33.65 64.2 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.822 0.82 . . . . 0.0 109.529 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.8 pp . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.838 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 8.6 m170 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -33.53 -55.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.637 0.732 . . . . 0.0 109.829 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.427 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -89.83 -48.73 7.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.471 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -53.02 -62.49 1.62 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.294 179.085 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.94 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.293 0.568 . . . . 0.0 109.856 178.142 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.691 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.76 -46.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.816 -178.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.66 -42.96 71.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.898 0.856 . . . . 0.0 109.594 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.94 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.02 -68.5 0.17 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.393 179.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.691 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.59 74.32 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.746 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.1 -50.05 62.9 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.317 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 5.0 mp -52.6 -52.23 56.24 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.0 m -50.84 -52.98 36.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.37 176.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.646 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.6 tp -41.04 -36.21 0.65 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.002 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.798 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.04 -40.57 58.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.056 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.282 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -48.54 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.791 1.281 . . . . 0.0 111.417 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.282 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.58 -25.62 18.11 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.831 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.8 -35.84 64.94 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.798 0.809 . . . . 0.0 109.299 178.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.7 pp . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.594 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.8 OUTLIER . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.97 -48.84 0.09 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.25 0.548 . . . . 0.0 110.176 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.62 -68.18 0.75 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.717 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.849 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.5 m -45.09 -56.53 4.62 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.533 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.886 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.11 -45.19 43.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.499 . . . . 0.0 110.898 178.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.706 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.69 -46.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -177.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.849 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.52 -43.0 75.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.912 179.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.17 -67.92 0.22 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.354 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.78 -32.65 74.43 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.468 -178.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.15 -49.35 65.08 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.413 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -52.59 -51.93 57.56 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.02 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.7 -54.98 22.31 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.53 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -39.77 -34.34 0.25 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.252 178.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.682 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.64 -45.36 66.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.246 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.236 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.81 -62.83 0.9 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.773 1.273 . . . . 0.0 112.639 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.236 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -67.69 -27.81 67.15 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.417 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.08 -33.7 76.39 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.49 178.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.804 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.415 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' A' ' 8' ' ' TYR . 7.4 m170 . . . . . 0 CA--C 1.517 -0.308 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.74 -54.82 0.46 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.774 0.797 . . . . 0.0 109.65 178.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HA ' HD23 ' A' ' 9' ' ' LEU . . . -91.37 -50.62 5.71 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.737 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.889 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 2.2 m -51.83 -60.07 3.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.14 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.937 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.3 -43.09 61.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.312 0.577 . . . . 0.0 109.768 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.697 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.79 -48.07 1.47 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.982 -178.275 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.889 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.54 -42.46 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 0.0 109.848 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.937 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.83 -68.03 0.21 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.308 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.697 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.23 -32.56 74.05 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.87 -178.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.63 -50.38 51.83 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.539 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.87 66.85 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.026 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 61.8 m -53.27 -55.77 21.92 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.756 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -39.34 -34.69 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.271 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.64 -47.42 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.191 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.234 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -39.58 -62.98 0.62 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.95 1.357 . . . . 0.0 112.408 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.234 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -68.5 -29.5 68.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 113.078 -1.873 . . . . 0.0 107.598 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.99 -26.43 68.85 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.705 178.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.025 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.607 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.12 -52.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.189 0.518 . . . . 0.0 110.267 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -82.52 -69.8 0.6 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.677 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.831 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 14.7 m -43.0 -56.15 3.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.596 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.869 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.88 -45.37 64.09 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.227 0.537 . . . . 0.0 110.609 178.354 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.726 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -37.81 -47.78 1.05 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.036 -177.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.831 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.99 -42.33 76.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.015 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.869 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.97 -66.75 0.35 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.196 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.726 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.82 -31.05 71.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.443 -179.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.86 -55.89 11.19 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 3.6 pp -51.81 -44.44 63.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.969 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.9 m -55.79 -56.17 23.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 3.1 tp -38.44 -36.12 0.22 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.324 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.628 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.06 -46.07 52.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.171 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.114 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -44.29 -45.34 8.62 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.726 -1.125 . . . . 0.0 112.482 179.295 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.114 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -82.81 -29.24 29.68 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.559 -1.655 . . . . 0.0 107.388 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.4 mm-40 -67.55 -21.16 65.47 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.943 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 3.6 m170 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.8 p -35.7 -57.65 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.478 ' HA ' HD22 ' A' ' 9' ' ' LEU . . . -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.824 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 49.3 m -55.24 -60.05 3.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.363 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.977 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.72 -39.39 62.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.447 0.641 . . . . 0.0 109.305 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.738 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -40.73 -48.5 3.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.715 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.824 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.14 -41.1 71.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.891 0.853 . . . . 0.0 109.7 178.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.977 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.57 -68.5 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.098 -1.41 . . . . 0.0 112.18 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.738 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.87 -31.66 72.4 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.184 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.11 -49.74 59.24 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.55 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -51.2 67.37 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.961 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 30.2 m -50.43 -56.08 13.04 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.743 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 1.5 tp -37.21 -37.97 0.19 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.624 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.99 -44.34 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.086 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.152 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -45.75 -46.45 15.17 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.534 1.159 . . . . 0.0 112.001 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.152 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -81.84 -26.42 34.29 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 113.418 -1.719 . . . . 0.0 107.712 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.743 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 4.5 mm-40 -73.87 -21.54 60.06 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.525 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.565 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.51 -0.583 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.83 -52.02 0.41 Allowed 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.131 0.491 . . . . 0.0 110.47 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.54 -59.52 2.42 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.586 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.897 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -48.3 -59.14 3.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.174 179.077 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.94 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.78 -44.38 48.89 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.218 0.533 . . . . 0.0 110.297 178.317 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.677 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.6 -46.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.926 -178.307 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.897 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.89 -42.52 72.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.783 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.94 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.27 -67.65 0.24 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.15 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.677 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.58 -32.27 73.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.462 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.74 -50.4 57.48 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.341 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.9 tp -53.17 -50.46 64.57 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.988 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -51.43 -54.15 29.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -39.0 -36.58 0.3 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.199 178.274 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.63 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.11 -45.03 52.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.179 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.158 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -44.11 -47.68 8.99 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.418 1.104 . . . . 0.0 112.419 179.431 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.158 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -80.71 -28.67 36.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.304 -1.771 . . . . 0.0 107.424 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.8 mm-40 -69.9 -21.88 63.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.056 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.974 -178.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.4 m170 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.575 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -42.26 -59.81 1.68 Allowed 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.658 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -73.69 -47.91 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.58 0.705 . . . . 0.0 110.747 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.906 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -52.04 -64.29 0.86 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.683 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.961 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.23 -39.68 57.13 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.678 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.44 -47.21 1.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.166 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.906 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.7 -42.53 71.57 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.944 0.878 . . . . 0.0 109.483 179.095 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.961 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -55.07 -68.37 0.2 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.591 179.07 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.678 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.52 -32.11 73.62 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.732 -178.535 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.64 -51.96 43.85 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -53.77 -49.9 67.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 177.107 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.999 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 52.0 m -50.98 -55.08 19.05 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.219 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -39.14 -36.1 0.28 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.348 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.83 -45.06 59.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.014 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.258 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.92 -52.8 6.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.535 1.16 . . . . 0.0 112.393 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.258 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -74.48 -28.92 61.22 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.373 -1.74 . . . . 0.0 107.637 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.4 mm-40 -70.81 -21.46 62.47 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.213 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.5 pp . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.918 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.531 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.37 -49.17 0.11 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.88 -67.21 0.82 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.552 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.825 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -44.92 -56.51 4.51 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.52 179.333 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.923 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.43 -45.95 56.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.194 0.521 . . . . 0.0 110.827 178.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.719 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.07 -47.18 1.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.367 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.825 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.75 -42.45 75.44 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.895 179.385 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.923 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.397 -1.274 . . . . 0.0 112.282 179.32 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.719 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.04 -32.31 73.7 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.768 -178.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.97 -51.75 43.83 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.325 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -52.65 -50.04 63.98 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.984 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 40.4 m -52.0 -54.82 25.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.659 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 2.8 tp -38.71 -36.3 0.25 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.227 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.56 -45.84 57.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.166 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.186 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.67 -49.76 7.69 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.494 1.14 . . . . 0.0 112.548 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.186 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.06 -28.86 43.19 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.328 -1.76 . . . . 0.0 107.547 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.4 mm-40 -67.76 -26.89 66.34 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.955 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.395 -179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.3 m170 . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -32.15 -52.59 0.27 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.168 0.508 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -81.47 -63.56 1.37 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.69 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.863 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -45.84 -58.54 3.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.471 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.943 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.37 -45.88 55.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.255 0.55 . . . . 0.0 110.504 178.37 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.677 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.377 -178.134 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.863 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.16 -42.1 72.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.821 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.943 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.81 -67.76 0.23 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.166 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.677 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.41 -32.2 73.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.543 -179.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.93 -50.79 53.94 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.445 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -53.72 -50.13 66.6 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.264 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.977 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 53.6 m -51.64 -54.5 27.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.747 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 4.1 tp -37.82 -36.79 0.2 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.113 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.17 -48.05 54.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.036 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.151 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -40.02 -49.19 2.51 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.49 1.138 . . . . 0.0 112.531 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.151 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.95 -32.04 45.28 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.092 -1.867 . . . . 0.0 107.446 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.747 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 5.4 mm100 -59.96 -22.79 62.96 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.082 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.261 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.6 m170 . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.531 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 1.4 m -35.78 -55.69 0.71 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.09 0.471 . . . . 0.0 110.757 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -79.43 -54.31 6.05 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.563 0.697 . . . . 0.0 110.565 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -50.26 -61.4 2.19 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.947 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.967 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.45 -43.15 55.1 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.244 0.545 . . . . 0.0 110.137 177.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.688 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.67 -46.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.106 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.62 -43.41 72.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.879 0.847 . . . . 0.0 109.563 179.143 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.967 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -52.74 -68.24 0.19 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.464 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.688 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.71 -32.02 73.34 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.073 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.97 -50.24 50.85 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -53.62 -50.78 64.95 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 177.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.019 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.1 m -52.11 -55.09 23.03 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.577 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 4.3 tp -39.54 -34.36 0.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.431 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.634 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.18 -45.76 68.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.11 178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.218 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.44 -61.63 1.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.631 1.205 . . . . 0.0 112.838 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.218 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -69.84 -27.52 64.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.508 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.3 -33.31 75.68 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.28 178.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 113.906 -1.497 . . . . 0.0 112.214 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.4 m170 . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.517 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -32.01 -48.94 0.17 Allowed 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.225 0.536 . . . . 0.0 110.154 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.505 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.57 -66.01 0.94 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.77 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.911 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 69.8 m -46.44 -58.18 3.99 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.543 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.883 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.24 -45.43 34.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.256 0.551 . . . . 0.0 110.474 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.675 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.258 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.911 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.42 -42.9 71.03 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.035 179.624 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.883 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -54.33 -67.49 0.26 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.246 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.675 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.92 -32.48 74.21 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.214 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.4 -45.16 73.43 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.04 -53.52 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.98 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 38.6 m -51.76 -55.21 21.09 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.418 175.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.8 tp -38.74 -36.66 0.28 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.239 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.669 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.96 -46.45 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.068 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.21 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -41.98 -52.4 4.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.437 1.113 . . . . 0.0 112.871 179.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.21 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -77.46 -29.04 52.56 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.495 -1.684 . . . . 0.0 107.834 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mm-40 -69.19 -25.42 64.33 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.982 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.3 pp . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.785 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.584 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.544 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.71 -49.58 0.1 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.274 0.559 . . . . 0.0 110.333 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.49 -67.0 0.84 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.892 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -45.59 -56.96 4.56 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.512 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.9 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.89 -45.49 30.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.162 0.506 . . . . 0.0 110.804 178.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.676 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.29 -46.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.029 -178.326 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.892 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.79 -42.84 72.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.006 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.9 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.68 0.24 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.221 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.676 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.86 74.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.351 -179.092 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.84 -48.82 67.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 6.1 mp -52.89 -52.47 57.39 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 176.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 1.069 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.02 -54.14 27.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.47 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -41.53 -33.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.29 178.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.725 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.97 -40.53 66.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.144 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 1.253 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -48.36 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 122.787 1.28 . . . . 0.0 111.503 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.253 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.74 -27.94 31.38 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.828 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.11 -41.68 94.69 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.841 178.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.961 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.77 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 60.81 -111.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p 49.74 26.14 1.76 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.062 0.458 . . . . 0.0 110.092 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -40.83 -35.88 0.56 Allowed 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.144 -179.246 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.51 -49.82 0.09 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.196 0.522 . . . . 0.0 110.373 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.2 -67.27 0.81 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.874 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.2 m -45.03 -57.31 3.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.442 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.904 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.65 -45.1 27.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.849 178.729 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.676 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.33 -46.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -178.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.874 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.87 -42.97 72.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.872 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.904 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.88 -67.82 0.23 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.296 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.676 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.98 -32.87 74.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.383 -179.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.72 -47.93 67.93 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.209 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -52.61 -52.62 54.52 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.975 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.6 m -51.53 -55.24 20.12 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.303 176.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.684 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.2 tp -37.96 -37.48 0.25 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.236 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.674 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.52 -46.67 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.112 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.208 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -42.47 -50.65 5.2 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 122.522 1.154 . . . . 0.0 112.873 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.208 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.91 -27.53 39.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.083 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.684 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.9 mm-40 -74.43 -23.31 58.91 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.704 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -93.15 -17.46 23.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.251 -178.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -158.18 30.75 0.25 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' ALA . 4.6 m -164.29 18.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 34.0 mtmt -52.46 161.06 0.73 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.57 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.959 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 57.08 36.69 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -85.97 33.26 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.096 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' TYR . 6.3 m170 -39.48 -32.76 0.13 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.294 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -34.31 -55.08 0.52 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.709 0.766 . . . . 0.0 109.786 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.2 -49.82 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.539 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.904 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 1.8 m -52.44 -60.38 3.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.325 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.944 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.95 -44.0 60.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 178.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.684 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.24 -47.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.009 -178.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.904 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.12 -42.64 73.22 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.631 -0.827 . . . . 0.0 109.707 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.944 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.17 -68.28 0.18 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.171 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.684 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.11 -32.36 74.02 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.496 -178.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.81 -50.36 57.27 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.23 -51.15 60.01 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.978 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 42.4 m -52.09 -54.98 23.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.0 tp -39.22 -35.75 0.27 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.124 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.678 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.32 -44.98 54.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.174 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.174 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -45.59 -49.65 13.91 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.523 1.154 . . . . 0.0 112.35 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.174 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.55 -28.67 46.06 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.444 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.588 ' NE2' ' HG3' ' A' ' 24' ' ' LYS . 1.2 mm-40 -67.95 -29.98 69.16 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.795 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.9 pp -94.97 -22.62 17.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.064 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' SER . 51.0 p -59.44 -55.07 39.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.76 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 22' ' ' SER . 1.2 t 177.92 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HG3' ' NE2' ' A' ' 20' ' ' GLN . 35.3 mmtt -63.63 -172.51 0.06 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.561 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.885 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.1 mtpt -107.96 -157.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.78 19.84 10.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -40.12 -35.76 0.42 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.394 -179.209 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.558 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.3 -50.04 0.12 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.08 0.467 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -86.66 -67.25 0.83 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.604 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.783 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -44.8 -56.45 4.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.427 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.894 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.34 -44.86 62.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.223 0.535 . . . . 0.0 110.944 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.69 -47.99 2.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 -177.391 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.783 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -56.27 -41.24 75.5 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.999 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.894 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.56 -68.33 0.21 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.31 -1.314 . . . . 0.0 112.32 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.752 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.38 -32.5 73.93 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.951 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . . . -67.43 -51.64 49.2 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 3.6 mm? -52.63 -51.27 60.82 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.009 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 45.7 m -51.65 -56.76 11.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.645 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.614 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -37.39 -36.74 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.412 178.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.632 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.38 -48.01 65.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.797 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.185 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -42.77 -54.75 3.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.488 1.137 . . . . 0.0 113.08 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.185 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -76.58 -27.42 55.81 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.568 -1.651 . . . . 0.0 107.096 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.65 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -67.39 -22.9 65.53 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.684 178.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.35 -6.11 21.11 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.123 -178.028 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 23' ' ' SER . 38.4 m -132.99 -2.67 3.21 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' ALA . 13.1 t 178.3 43.82 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.351 0.596 . . . . 0.0 110.208 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -56.63 176.33 0.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.787 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.65 0.262 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -87.36 -92.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.798 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.37 25.64 1.36 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.118 0.485 . . . . 0.0 110.103 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 -41.51 -34.85 0.61 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.067 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.01 -49.11 0.1 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 110.288 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.0 -67.69 0.78 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.809 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.889 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 15.0 m -45.28 -57.04 4.27 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.588 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.898 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.161 0.505 . . . . 0.0 110.714 178.579 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.684 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.37 -46.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.158 -178.233 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.889 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.68 -43.22 72.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.974 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.898 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.88 0.22 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.192 -1.367 . . . . 0.0 112.259 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.684 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.17 -32.67 74.47 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.489 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.82 -49.5 65.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.334 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -52.97 -52.13 59.22 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 176.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.083 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.3 m -50.81 -54.08 26.66 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.563 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.678 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -41.03 -35.98 0.61 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.077 178.597 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.789 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.14 -41.3 60.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.119 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.282 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -47.2 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.92 1.343 . . . . 0.0 111.477 179.544 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.282 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -54.14 -26.29 26.89 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 113.725 -1.58 . . . . 0.0 108.743 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.678 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.85 -33.65 64.2 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.822 0.82 . . . . 0.0 109.529 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.789 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.8 pp -92.17 3.01 56.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.838 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.4 m -143.4 -0.18 1.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.99 49.62 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.196 0.522 . . . . 0.0 110.11 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -76.03 59.95 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.428 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.84 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt 59.48 41.26 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -85.37 27.04 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.312 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 8.6 m170 -38.94 -32.21 0.08 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.279 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -33.53 -55.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.637 0.732 . . . . 0.0 109.829 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.427 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -89.83 -48.73 7.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.471 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -53.02 -62.49 1.62 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.294 179.085 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.94 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.293 0.568 . . . . 0.0 109.856 178.142 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.691 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.76 -46.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.816 -178.536 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.66 -42.96 71.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.898 0.856 . . . . 0.0 109.594 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.94 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.02 -68.5 0.17 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.393 179.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.691 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.59 74.32 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.746 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.1 -50.05 62.9 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.317 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 5.0 mp -52.6 -52.23 56.24 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.0 m -50.84 -52.98 36.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.37 176.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.646 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.6 tp -41.04 -36.21 0.65 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.002 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.798 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.04 -40.57 58.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.056 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.282 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -48.54 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.791 1.281 . . . . 0.0 111.417 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.282 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.58 -25.62 18.11 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.831 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.646 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.8 -35.84 64.94 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.798 0.809 . . . . 0.0 109.299 178.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.798 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.7 pp -88.6 3.37 50.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.594 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -134.24 -12.64 2.44 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.99 67.94 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -85.83 19.7 2.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.165 -178.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.898 0.38 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -117.13 -151.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 58.02 22.49 8.94 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.595 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -40.56 -35.7 0.49 Allowed 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.296 -179.147 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.97 -48.84 0.09 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.25 0.548 . . . . 0.0 110.176 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.62 -68.18 0.75 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.717 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.849 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.5 m -45.09 -56.53 4.62 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.533 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.886 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.11 -45.19 43.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.499 . . . . 0.0 110.898 178.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.706 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.69 -46.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -177.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.849 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.52 -43.0 75.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.912 179.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.17 -67.92 0.22 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.354 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.78 -32.65 74.43 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.468 -178.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.15 -49.35 65.08 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.413 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -52.59 -51.93 57.56 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.195 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.02 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.7 -54.98 22.31 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.53 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -39.77 -34.34 0.25 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.252 178.535 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.682 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.64 -45.36 66.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.246 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.236 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.81 -62.83 0.9 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.773 1.273 . . . . 0.0 112.639 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.236 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -67.69 -27.81 67.15 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.417 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.08 -33.7 76.39 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.49 178.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -93.77 -4.43 50.34 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.415 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -135.89 -0.74 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 171.34 49.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.287 0.565 . . . . 0.0 110.362 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 5.1 ptpt -57.43 178.95 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.269 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.919 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' C ' ' H ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -119.32 45.55 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.675 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -81.11 32.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.364 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' A' ' 8' ' ' TYR . 7.4 m170 -39.44 -33.47 0.16 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.027 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.74 -54.82 0.46 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.774 0.797 . . . . 0.0 109.65 178.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HA ' HD23 ' A' ' 9' ' ' LEU . . . -91.37 -50.62 5.71 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.737 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.889 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 2.2 m -51.83 -60.07 3.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.14 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.937 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.3 -43.09 61.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.312 0.577 . . . . 0.0 109.768 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.697 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.79 -48.07 1.47 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.982 -178.275 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.889 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.54 -42.46 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 0.0 109.848 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.937 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.83 -68.03 0.21 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.308 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.697 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.23 -32.56 74.05 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.87 -178.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.526 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.63 -50.38 51.83 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.539 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -49.87 66.85 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.026 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 61.8 m -53.27 -55.77 21.92 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.756 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -39.34 -34.69 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.271 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.64 -47.42 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.191 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.234 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -39.58 -62.98 0.62 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.95 1.357 . . . . 0.0 112.408 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.234 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -68.5 -29.5 68.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 113.078 -1.873 . . . . 0.0 107.598 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.677 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -62.99 -26.43 68.85 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.705 178.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -99.46 -41.0 7.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.025 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -103.73 26.06 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.781 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -168.78 -26.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.656 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.677 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 21.4 mtmt 39.15 33.14 0.08 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.954 -179.787 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.138 0.494 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -138.99 -81.48 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.01 20.93 0.88 Allowed 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.607 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -44.26 -33.78 1.69 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.817 -178.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.12 -52.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.189 0.518 . . . . 0.0 110.267 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -82.52 -69.8 0.6 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.677 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.831 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 14.7 m -43.0 -56.15 3.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.596 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.869 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.88 -45.37 64.09 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.227 0.537 . . . . 0.0 110.609 178.354 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.726 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -37.81 -47.78 1.05 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.036 -177.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.831 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.99 -42.33 76.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.015 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.869 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.97 -66.75 0.35 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.196 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.726 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.82 -31.05 71.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.443 -179.191 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.86 -55.89 11.19 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 11' ' ' LEU . 3.6 pp -51.81 -44.44 63.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.969 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.9 m -55.79 -56.17 23.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.589 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 3.1 tp -38.44 -36.12 0.22 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.324 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.628 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.06 -46.07 52.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.171 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.114 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -44.29 -45.34 8.62 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.726 -1.125 . . . . 0.0 112.482 179.295 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.114 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -82.81 -29.24 29.68 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.559 -1.655 . . . . 0.0 107.388 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.601 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 3.4 mm-40 -67.55 -21.16 65.47 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER -107.19 -12.06 15.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.943 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.82 9.91 4.62 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' ALA . 45.5 t -179.15 32.41 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.601 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 1.2 ptmt -55.1 131.58 45.41 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.044 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.915 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.83 0.348 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -125.12 -164.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.85 18.56 7.52 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.585 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 3.6 m170 -42.48 -29.38 0.27 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.092 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.8 p -35.7 -57.65 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.478 ' HA ' HD22 ' A' ' 9' ' ' LEU . . . -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.824 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 49.3 m -55.24 -60.05 3.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.363 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.977 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.72 -39.39 62.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.447 0.641 . . . . 0.0 109.305 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.738 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -40.73 -48.5 3.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.715 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.824 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.14 -41.1 71.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.891 0.853 . . . . 0.0 109.7 178.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.977 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.57 -68.5 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.098 -1.41 . . . . 0.0 112.18 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.738 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.87 -31.66 72.4 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.184 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.11 -49.74 59.24 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.55 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -51.2 67.37 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 177.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.961 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 30.2 m -50.43 -56.08 13.04 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.743 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 1.5 tp -37.21 -37.97 0.19 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.99 -44.34 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.086 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.152 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -45.75 -46.45 15.17 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.534 1.159 . . . . 0.0 112.001 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.152 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -81.84 -26.42 34.29 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 113.418 -1.719 . . . . 0.0 107.712 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.743 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 4.5 mm-40 -73.87 -21.54 60.06 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.525 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -95.93 -22.15 17.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.565 -178.371 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -149.5 24.77 0.88 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.505 ' HB2' ' CA ' ' A' ' 19' ' ' ALA . 58.9 m -153.77 12.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 110.741 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 20.5 mttt -44.63 165.6 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.805 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.864 179.788 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.728 0.299 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.423 ' HB3' ' H ' ' A' ' 3' ' ' SER . 17.6 mttt 62.18 -134.94 0.51 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.511 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 1.4 m 59.69 19.33 8.02 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 109.996 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.1 m170 -40.09 -32.61 0.18 Allowed 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.321 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.83 -52.02 0.41 Allowed 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.131 0.491 . . . . 0.0 110.47 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.54 -59.52 2.42 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.586 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.897 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -48.3 -59.14 3.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.174 179.077 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.94 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.78 -44.38 48.89 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.218 0.533 . . . . 0.0 110.297 178.317 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.677 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.6 -46.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.926 -178.307 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.897 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.89 -42.52 72.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.783 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.94 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.27 -67.65 0.24 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.15 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.677 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.58 -32.27 73.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.462 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.74 -50.4 57.48 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.341 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.9 tp -53.17 -50.46 64.57 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.988 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -51.43 -54.15 29.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -39.0 -36.58 0.3 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.199 178.274 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.63 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.11 -45.03 52.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.179 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.158 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -44.11 -47.68 8.99 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.418 1.104 . . . . 0.0 112.419 179.431 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.158 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -80.71 -28.67 36.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.304 -1.771 . . . . 0.0 107.424 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.8 mm-40 -69.9 -21.88 63.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.056 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -104.71 -12.07 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.974 -178.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -132.18 10.81 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ALA . 98.3 p -177.58 33.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.701 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -50.96 118.81 3.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.494 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.756 0.313 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -99.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 52.26 22.28 1.94 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.91 0.386 . . . . 0.0 110.566 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.4 m170 -43.63 -26.92 0.26 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.575 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -42.26 -59.81 1.68 Allowed 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.658 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.447 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -73.69 -47.91 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.58 0.705 . . . . 0.0 110.747 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.906 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -52.04 -64.29 0.86 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.683 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.961 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.23 -39.68 57.13 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.678 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.44 -47.21 1.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.166 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.906 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.7 -42.53 71.57 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.944 0.878 . . . . 0.0 109.483 179.095 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.961 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -55.07 -68.37 0.2 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.591 179.07 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.678 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.52 -32.11 73.62 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.732 -178.535 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.504 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.64 -51.96 43.85 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -53.77 -49.9 67.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 177.107 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.999 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 52.0 m -50.98 -55.08 19.05 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.219 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -39.14 -36.1 0.28 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.348 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.83 -45.06 59.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.014 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.258 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.92 -52.8 6.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.535 1.16 . . . . 0.0 112.393 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.258 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -74.48 -28.92 61.22 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.373 -1.74 . . . . 0.0 107.637 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.4 mm-40 -70.81 -21.46 62.47 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.213 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.5 pp -107.71 -9.0 15.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.918 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.75 7.24 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -171.49 29.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.088 0.47 . . . . 0.0 110.701 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.6 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -55.86 115.85 2.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.398 -179.466 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.922 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.741 0.305 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.57 -155.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 m 58.09 22.24 8.78 Favored 'General case' 0 CA--C 1.523 -0.06 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.588 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 -40.66 -36.12 0.56 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.497 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.531 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.37 -49.17 0.11 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.88 -67.21 0.82 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.552 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.825 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -44.92 -56.51 4.51 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.52 179.333 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.923 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.43 -45.95 56.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.194 0.521 . . . . 0.0 110.827 178.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.719 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.07 -47.18 1.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.367 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.825 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.75 -42.45 75.44 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.895 179.385 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.923 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.397 -1.274 . . . . 0.0 112.282 179.32 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.719 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.04 -32.31 73.7 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.768 -178.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.518 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.97 -51.75 43.83 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.325 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 3.1 tp -52.65 -50.04 63.98 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.984 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 40.4 m -52.0 -54.82 25.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.659 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 2.8 tp -38.71 -36.3 0.25 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.227 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.56 -45.84 57.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.166 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.186 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.67 -49.76 7.69 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.494 1.14 . . . . 0.0 112.548 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.186 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.06 -28.86 43.19 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.328 -1.76 . . . . 0.0 107.547 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.4 mm-40 -67.76 -26.89 66.34 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.955 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -97.87 -36.27 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.395 -179.276 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.2 m -99.57 22.41 10.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.68 -179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 -32.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.042 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 30.48 39.91 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 179.211 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -131.94 -101.09 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 54.78 20.0 2.82 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.3 m170 -42.36 -32.18 0.49 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -32.15 -52.59 0.27 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.168 0.508 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -81.47 -63.56 1.37 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.69 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.863 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -45.84 -58.54 3.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.471 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.943 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.37 -45.88 55.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.255 0.55 . . . . 0.0 110.504 178.37 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.677 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.377 -178.134 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.863 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.16 -42.1 72.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.821 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.943 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.81 -67.76 0.23 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.166 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.677 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.41 -32.2 73.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.543 -179.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.93 -50.79 53.94 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.445 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -53.72 -50.13 66.6 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.264 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.977 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 53.6 m -51.64 -54.5 27.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.747 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 4.1 tp -37.82 -36.79 0.2 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.113 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.603 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.17 -48.05 54.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.036 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.151 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -40.02 -49.19 2.51 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.49 1.138 . . . . 0.0 112.531 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.151 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.95 -32.04 45.28 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.092 -1.867 . . . . 0.0 107.446 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.747 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 5.4 mm100 -59.96 -22.79 62.96 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.082 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -103.6 -54.56 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.261 -179.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.1 p -84.27 11.94 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.732 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -143.73 -32.7 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 14.0 mttt 36.0 77.64 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.77 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.841 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.857 0.361 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.84 -113.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 55.72 19.26 3.29 Favored 'General case' 0 C--O 1.23 0.044 0 CA-C-O 120.785 0.326 . . . . 0.0 110.59 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.6 m170 -42.56 -30.23 0.34 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.531 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 1.4 m -35.78 -55.69 0.71 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.09 0.471 . . . . 0.0 110.757 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -79.43 -54.31 6.05 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.563 0.697 . . . . 0.0 110.565 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -50.26 -61.4 2.19 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.947 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.967 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.45 -43.15 55.1 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.244 0.545 . . . . 0.0 110.137 177.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.688 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.67 -46.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.106 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.62 -43.41 72.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.879 0.847 . . . . 0.0 109.563 179.143 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.967 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -52.74 -68.24 0.19 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.464 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.688 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.71 -32.02 73.34 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.073 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.97 -50.24 50.85 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -53.62 -50.78 64.95 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 177.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.019 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.1 m -52.11 -55.09 23.03 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.577 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 4.3 tp -39.54 -34.36 0.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.431 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.634 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.18 -45.76 68.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.11 178.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.218 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.44 -61.63 1.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.631 1.205 . . . . 0.0 112.838 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.218 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -69.84 -27.52 64.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.508 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.3 -33.31 75.68 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.28 178.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -96.82 -5.89 37.29 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.906 -1.497 . . . . 0.0 112.214 -178.051 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 t -126.26 -12.32 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 22' ' ' SER . 33.3 t 174.62 53.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 110.175 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 5.1 pttt -59.75 141.47 55.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.435 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.896 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.3 mttm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.34 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -88.75 -91.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p 48.01 27.88 1.31 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.4 m170 -40.96 -33.5 0.32 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.088 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.517 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -32.01 -48.94 0.17 Allowed 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.225 0.536 . . . . 0.0 110.154 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.505 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.57 -66.01 0.94 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.77 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.911 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 69.8 m -46.44 -58.18 3.99 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.543 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.883 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.24 -45.43 34.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.256 0.551 . . . . 0.0 110.474 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.675 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.258 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.911 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.42 -42.9 71.03 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.035 179.624 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.883 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -54.33 -67.49 0.26 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.246 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.675 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.92 -32.48 74.21 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.214 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.4 -45.16 73.43 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.04 -53.52 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.98 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 38.6 m -51.76 -55.21 21.09 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.418 175.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.8 tp -38.74 -36.66 0.28 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.239 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.669 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.96 -46.45 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.068 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.21 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -41.98 -52.4 4.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.437 1.113 . . . . 0.0 112.871 179.595 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.21 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -77.46 -29.04 52.56 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.495 -1.684 . . . . 0.0 107.834 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mm-40 -69.19 -25.42 64.33 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.982 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.3 pp -101.82 -23.44 14.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.785 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.49 32.82 4.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.299 . . . . 0.0 111.496 -179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -161.6 -31.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.95 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' SER . 14.1 mttp 30.2 62.62 0.18 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.883 -179.793 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.807 0.336 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -105.88 -99.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t 49.09 25.99 1.3 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.024 0.44 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.584 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -41.54 -35.73 0.78 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.159 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.544 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.71 -49.58 0.1 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.274 0.559 . . . . 0.0 110.333 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.487 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.49 -67.0 0.84 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.892 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -45.59 -56.96 4.56 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.512 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.9 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.89 -45.49 30.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.162 0.506 . . . . 0.0 110.804 178.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.676 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.29 -46.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.029 -178.326 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.892 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.79 -42.84 72.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.006 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.9 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.68 0.24 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.221 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.676 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.86 74.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.351 -179.092 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.84 -48.82 67.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 6.1 mp -52.89 -52.47 57.39 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 176.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 1.069 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.02 -54.14 27.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.47 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -41.53 -33.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.29 178.524 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.725 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.97 -40.53 66.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.144 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 1.253 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -48.36 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 122.787 1.28 . . . . 0.0 111.503 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.253 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.74 -27.94 31.38 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.828 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -65.11 -41.68 94.69 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.841 178.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.725 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -87.36 -16.4 35.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.961 -178.517 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.21 26.51 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 111.354 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -172.69 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 0.0 110.819 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 33.61 -165.46 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.144 178.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.766 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.583 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.51 -49.82 0.09 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.196 0.522 . . . . 0.0 110.373 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.2 -67.27 0.81 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.928 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.2 m -45.03 -57.31 3.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.442 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.885 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.65 -45.1 27.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.849 178.729 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.33 -46.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -178.433 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.928 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.87 -42.97 72.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.872 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.885 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.88 -67.82 0.23 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.296 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.98 -32.87 74.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.383 -179.043 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.72 -47.93 67.93 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.209 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -52.61 -52.62 54.52 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.975 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.6 m -51.53 -55.24 20.12 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.303 176.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.2 tp -37.96 -37.48 0.25 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.236 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.689 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.52 -46.67 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.112 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.975 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.47 -50.65 5.2 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 122.522 1.154 . . . . 0.0 112.873 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.71 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -79.91 -27.53 39.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.083 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.0 mm100 -74.43 -23.31 58.91 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.704 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.251 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' TYR . 6.3 m170 . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -34.31 -55.08 0.52 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.709 0.766 . . . . 0.0 109.786 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.2 -49.82 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.539 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.96 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 1.8 m -52.44 -60.38 3.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.325 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.929 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.95 -44.0 60.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 178.062 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.706 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.24 -47.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.009 -178.355 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.96 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.12 -42.64 73.22 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.631 -0.827 . . . . 0.0 109.707 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.929 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.17 -68.28 0.18 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.171 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.11 -32.36 74.02 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.496 -178.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.81 -50.36 57.27 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.23 -51.15 60.01 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.978 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 42.4 m -52.09 -54.98 23.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.632 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 6.0 tp -39.22 -35.75 0.27 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.124 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.695 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.32 -44.98 54.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.174 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.978 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -45.59 -49.65 13.91 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.523 1.154 . . . . 0.0 112.35 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.705 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -78.55 -28.67 46.06 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.444 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.3 mm100 -67.95 -29.98 69.16 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.795 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.9 pp . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.064 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.613 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.558 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.3 -50.04 0.12 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.08 0.467 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -86.66 -67.25 0.83 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.604 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -44.8 -56.45 4.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.427 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.887 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.34 -44.86 62.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.223 0.535 . . . . 0.0 110.944 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.775 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.69 -47.99 2.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 -177.391 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.84 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -56.27 -41.24 75.5 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.999 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.887 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.56 -68.33 0.21 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.31 -1.314 . . . . 0.0 112.32 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.38 -32.5 73.93 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.951 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . . . -67.43 -51.64 49.2 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 mm? -52.63 -51.27 60.82 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.959 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.7 m -51.65 -56.76 11.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.645 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -37.39 -36.74 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.412 178.704 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.38 -48.01 65.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.797 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.959 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.77 -54.75 3.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.488 1.137 . . . . 0.0 113.08 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.634 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -76.58 -27.42 55.81 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.568 -1.651 . . . . 0.0 107.096 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.628 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.9 tt0 -67.39 -22.9 65.53 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.684 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.123 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.01 -49.11 0.1 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 110.288 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.0 -67.69 0.78 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.809 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 15.0 m -45.28 -57.04 4.27 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.588 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.884 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.161 0.505 . . . . 0.0 110.714 178.579 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.705 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.37 -46.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.158 -178.233 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.68 -43.22 72.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.974 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.884 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.88 0.22 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.192 -1.367 . . . . 0.0 112.259 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.17 -32.67 74.47 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.489 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.82 -49.5 65.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.334 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -52.97 -52.13 59.22 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 176.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 1.083 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.3 m -50.81 -54.08 26.66 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.563 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.698 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -41.03 -35.98 0.61 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.077 178.597 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.807 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.14 -41.3 60.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.119 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.083 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -47.2 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.92 1.343 . . . . 0.0 111.477 179.544 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.816 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -54.14 -26.29 26.89 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 113.725 -1.58 . . . . 0.0 108.743 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -73.85 -33.65 64.2 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.822 0.82 . . . . 0.0 109.529 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.8 pp . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.838 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 8.6 m170 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -33.53 -55.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.637 0.732 . . . . 0.0 109.829 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -89.83 -48.73 7.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.471 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.952 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -53.02 -62.49 1.62 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.294 179.085 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.927 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.293 0.568 . . . . 0.0 109.856 178.142 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.711 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.76 -46.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.816 -178.536 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.952 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.66 -42.96 71.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.898 0.856 . . . . 0.0 109.594 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.927 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.02 -68.5 0.17 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.393 179.408 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.711 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.59 74.32 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.746 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.1 -50.05 62.9 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.317 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.0 mp -52.6 -52.23 56.24 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.0 m -50.84 -52.98 36.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.37 176.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.681 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 7.6 tp -41.04 -36.21 0.65 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.002 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.813 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.04 -40.57 58.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.056 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.09 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -48.54 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.791 1.281 . . . . 0.0 111.417 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.821 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -53.58 -25.62 18.11 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.831 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.8 -35.84 64.94 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.798 0.809 . . . . 0.0 109.299 178.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.7 pp . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.594 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.8 OUTLIER . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.97 -48.84 0.09 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.25 0.548 . . . . 0.0 110.176 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.62 -68.18 0.75 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.717 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.5 m -45.09 -56.53 4.62 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.533 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.865 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.11 -45.19 43.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.499 . . . . 0.0 110.898 178.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.69 -46.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -177.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.52 -43.0 75.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.912 179.259 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.17 -67.92 0.22 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.354 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.725 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.78 -32.65 74.43 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.468 -178.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.15 -49.35 65.08 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.413 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -52.59 -51.93 57.56 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.195 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 1.02 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.7 -54.98 22.31 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.53 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.7 OUTLIER -39.77 -34.34 0.25 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.252 178.535 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.698 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.64 -45.36 66.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.246 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.02 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.81 -62.83 0.9 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.773 1.273 . . . . 0.0 112.639 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.645 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -67.69 -27.81 67.15 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.417 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.5 tt0 -66.08 -33.7 76.39 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.49 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.804 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.415 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' A' ' 8' ' ' TYR . 7.4 m170 . . . . . 0 CA--C 1.517 -0.308 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.74 -54.82 0.46 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.774 0.797 . . . . 0.0 109.65 178.831 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.425 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.37 -50.62 5.71 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.737 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.949 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 2.2 m -51.83 -60.07 3.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.14 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.924 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.3 -43.09 61.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.312 0.577 . . . . 0.0 109.768 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.713 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.79 -48.07 1.47 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.982 -178.275 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.949 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.54 -42.46 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 0.0 109.848 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.924 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.83 -68.03 0.21 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.308 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.713 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.23 -32.56 74.05 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.87 -178.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.63 -50.38 51.83 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.539 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -53.6 -49.87 66.85 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 177.273 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 1.015 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 61.8 m -53.27 -55.77 21.92 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.756 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -39.34 -34.69 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.271 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.64 -47.42 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.191 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.015 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -39.58 -62.98 0.62 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.95 1.357 . . . . 0.0 112.408 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.663 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -68.5 -29.5 68.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 113.078 -1.873 . . . . 0.0 107.598 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 2.5 tt0 -62.99 -26.43 68.85 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.705 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.025 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.621 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.12 -52.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.189 0.518 . . . . 0.0 110.267 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -82.52 -69.8 0.6 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.677 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.892 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 14.7 m -43.0 -56.15 3.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.596 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.864 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.88 -45.37 64.09 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.227 0.537 . . . . 0.0 110.609 178.354 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.745 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -37.81 -47.78 1.05 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.036 -177.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.892 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.99 -42.33 76.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.015 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.864 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.97 -66.75 0.35 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.196 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.745 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.82 -31.05 71.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.443 -179.191 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.86 -55.89 11.19 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 pp -51.81 -44.44 63.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.969 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.9 m -55.79 -56.17 23.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.646 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 3.1 tp -38.44 -36.12 0.22 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.324 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.06 -46.07 52.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.171 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.969 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -44.29 -45.34 8.62 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.726 -1.125 . . . . 0.0 112.482 179.295 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.694 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -82.81 -29.24 29.68 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.559 -1.655 . . . . 0.0 107.388 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.4 mm-40 -67.55 -21.16 65.47 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.943 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.611 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 3.6 m170 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.8 p -35.7 -57.65 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . . . -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.88 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 49.3 m -55.24 -60.05 3.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.363 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.959 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.72 -39.39 62.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.447 0.641 . . . . 0.0 109.305 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -40.73 -48.5 3.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.715 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.88 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.14 -41.1 71.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.891 0.853 . . . . 0.0 109.7 178.82 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.959 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.57 -68.5 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.098 -1.41 . . . . 0.0 112.18 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.759 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.87 -31.66 72.4 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.184 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.11 -49.74 59.24 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.55 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -55.23 -51.2 67.37 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 177.069 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.961 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 30.2 m -50.43 -56.08 13.04 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.751 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 1.5 tp -37.21 -37.97 0.19 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.99 -44.34 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.086 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.961 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -45.75 -46.45 15.17 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.534 1.159 . . . . 0.0 112.001 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.722 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -81.84 -26.42 34.29 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 113.418 -1.719 . . . . 0.0 107.712 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.7 mm100 -73.87 -21.54 60.06 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.525 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.565 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.51 -0.583 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.83 -52.02 0.41 Allowed 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.131 0.491 . . . . 0.0 110.47 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.54 -59.52 2.42 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.586 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.953 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -48.3 -59.14 3.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.174 179.077 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.925 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.78 -44.38 48.89 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.218 0.533 . . . . 0.0 110.297 178.317 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.696 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.6 -46.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.926 -178.307 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.953 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.89 -42.52 72.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.783 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.27 -67.65 0.24 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.15 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.696 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.58 -32.27 73.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.462 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.74 -50.4 57.48 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.341 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.9 tp -53.17 -50.46 64.57 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.988 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -51.43 -54.15 29.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.689 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -39.0 -36.58 0.3 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.199 178.274 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.645 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.11 -45.03 52.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.179 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.988 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -44.11 -47.68 8.99 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.418 1.104 . . . . 0.0 112.419 179.431 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.706 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -80.71 -28.67 36.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.304 -1.771 . . . . 0.0 107.424 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.8 mm-40 -69.9 -21.88 63.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.056 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.974 -178.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.4 m170 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.593 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -42.26 -59.81 1.68 Allowed 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.658 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -73.69 -47.91 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.58 0.705 . . . . 0.0 110.747 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.961 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -52.04 -64.29 0.86 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.683 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.938 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.23 -39.68 57.13 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.44 -47.21 1.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.166 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.961 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.7 -42.53 71.57 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.944 0.878 . . . . 0.0 109.483 179.095 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.938 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -55.07 -68.37 0.2 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.591 179.07 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.52 -32.11 73.62 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.732 -178.535 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.64 -51.96 43.85 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -53.77 -49.9 67.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 177.107 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.999 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 52.0 m -50.98 -55.08 19.05 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.219 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.681 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -39.14 -36.1 0.28 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.348 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.83 -45.06 59.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.014 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.999 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -43.92 -52.8 6.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.535 1.16 . . . . 0.0 112.393 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.717 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -74.48 -28.92 61.22 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.373 -1.74 . . . . 0.0 107.637 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.5 mm100 -70.81 -21.46 62.47 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.213 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.5 pp . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.918 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.531 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.37 -49.17 0.11 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.88 -67.21 0.82 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.552 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.882 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -44.92 -56.51 4.51 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.52 179.333 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.908 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.43 -45.95 56.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.194 0.521 . . . . 0.0 110.827 178.634 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.739 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.07 -47.18 1.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.367 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.882 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.75 -42.45 75.44 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.895 179.385 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.908 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.397 -1.274 . . . . 0.0 112.282 179.32 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.739 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.04 -32.31 73.7 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.768 -178.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.97 -51.75 43.83 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.325 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.1 tp -52.65 -50.04 63.98 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.984 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 40.4 m -52.0 -54.82 25.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 2.8 tp -38.71 -36.3 0.25 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.227 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.56 -45.84 57.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.166 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.984 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -43.67 -49.76 7.69 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.494 1.14 . . . . 0.0 112.548 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.679 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -79.06 -28.86 43.19 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.328 -1.76 . . . . 0.0 107.547 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.1 mm100 -67.76 -26.89 66.34 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.955 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.395 -179.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.3 m170 . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -32.15 -52.59 0.27 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.168 0.508 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -81.47 -63.56 1.37 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.69 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.922 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -45.84 -58.54 3.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.471 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.933 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.37 -45.88 55.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.255 0.55 . . . . 0.0 110.504 178.37 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.377 -178.134 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.922 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.16 -42.1 72.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.821 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.933 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.81 -67.76 0.23 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.166 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.41 -32.2 73.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.543 -179.051 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.93 -50.79 53.94 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.445 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -53.72 -50.13 66.6 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.264 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.977 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 53.6 m -51.64 -54.5 27.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.761 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 4.1 tp -37.82 -36.79 0.2 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.113 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.17 -48.05 54.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.036 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.977 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -40.02 -49.19 2.51 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.49 1.138 . . . . 0.0 112.531 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -78.95 -32.04 45.28 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.092 -1.867 . . . . 0.0 107.446 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 56.0 mm-40 -59.96 -22.79 62.96 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.082 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.261 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.6 m170 . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.554 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 1.4 m -35.78 -55.69 0.71 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.09 0.471 . . . . 0.0 110.757 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -79.43 -54.31 6.05 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.563 0.697 . . . . 0.0 110.565 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.956 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -50.26 -61.4 2.19 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.947 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.96 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.45 -43.15 55.1 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.244 0.545 . . . . 0.0 110.137 177.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.67 -46.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.106 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.956 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.62 -43.41 72.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.879 0.847 . . . . 0.0 109.563 179.143 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.96 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -52.74 -68.24 0.19 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.464 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.71 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.71 -32.02 73.34 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.073 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.97 -50.24 50.85 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.62 -50.78 64.95 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 177.168 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 1.019 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.1 m -52.11 -55.09 23.03 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.577 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 4.3 tp -39.54 -34.36 0.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.431 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.18 -45.76 68.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.11 178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.019 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.44 -61.63 1.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.631 1.205 . . . . 0.0 112.838 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.625 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -69.84 -27.52 64.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.508 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.588 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -65.3 -33.31 75.68 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.28 178.721 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 113.906 -1.497 . . . . 0.0 112.214 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.4 m170 . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.517 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -32.01 -48.94 0.17 Allowed 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.225 0.536 . . . . 0.0 110.154 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.57 -66.01 0.94 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.77 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.963 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 69.8 m -46.44 -58.18 3.99 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.543 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.87 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.24 -45.43 34.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.256 0.551 . . . . 0.0 110.474 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.693 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.258 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.963 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.42 -42.9 71.03 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.035 179.624 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.87 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -54.33 -67.49 0.26 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.246 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.693 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.92 -32.48 74.21 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.214 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.4 -45.16 73.43 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.04 -53.52 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.772 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.98 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 38.6 m -51.76 -55.21 21.09 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.418 175.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.673 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 7.8 tp -38.74 -36.66 0.28 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.239 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.682 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.96 -46.45 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.068 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.98 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.98 -52.4 4.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.437 1.113 . . . . 0.0 112.871 179.595 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.689 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -77.46 -29.04 52.56 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.495 -1.684 . . . . 0.0 107.834 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mm-40 -69.19 -25.42 64.33 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.982 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.3 pp . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.785 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.544 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.71 -49.58 0.1 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.274 0.559 . . . . 0.0 110.333 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.49 -67.0 0.84 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -45.59 -56.96 4.56 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.512 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.886 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.89 -45.49 30.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.162 0.506 . . . . 0.0 110.804 178.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.29 -46.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.029 -178.326 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.79 -42.84 72.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.006 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.68 0.24 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.221 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.86 74.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.351 -179.092 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.84 -48.82 67.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 mp -52.89 -52.47 57.39 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 176.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 1.069 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.02 -54.14 27.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.47 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.641 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -41.53 -33.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.29 178.524 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.742 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.97 -40.53 66.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.144 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 1.069 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -48.36 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 122.787 1.28 . . . . 0.0 111.503 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.793 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -53.74 -27.94 31.38 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.828 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.524 ' OE1' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.11 -41.68 94.69 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.841 178.449 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.961 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.77 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 60.81 -111.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p 49.74 26.14 1.76 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.062 0.458 . . . . 0.0 110.092 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -40.83 -35.88 0.56 Allowed 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.144 -179.246 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.51 -49.82 0.09 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.196 0.522 . . . . 0.0 110.373 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.2 -67.27 0.81 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.928 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.2 m -45.03 -57.31 3.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.442 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.885 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.65 -45.1 27.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.849 178.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.33 -46.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -178.433 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.928 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.87 -42.97 72.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.872 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.885 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.88 -67.82 0.23 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.296 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.98 -32.87 74.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.383 -179.043 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.72 -47.93 67.93 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.209 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -52.61 -52.62 54.52 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.975 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.6 m -51.53 -55.24 20.12 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.303 176.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.2 tp -37.96 -37.48 0.25 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.236 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.689 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.52 -46.67 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.112 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.975 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.47 -50.65 5.2 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 122.522 1.154 . . . . 0.0 112.873 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.71 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -79.91 -27.53 39.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.083 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.0 mm100 -74.43 -23.31 58.91 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.704 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -93.15 -17.46 23.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.251 -178.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -158.18 30.75 0.25 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.469 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 4.6 m -164.29 18.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 34.0 mtmt -52.46 161.06 0.73 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.57 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.959 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 57.08 36.69 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -85.97 33.26 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.096 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' TYR . 6.3 m170 -39.48 -32.76 0.13 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.294 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -34.31 -55.08 0.52 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.709 0.766 . . . . 0.0 109.786 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.2 -49.82 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.539 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.96 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 1.8 m -52.44 -60.38 3.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.325 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.929 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.95 -44.0 60.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 178.062 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.706 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.24 -47.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.009 -178.355 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.96 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.12 -42.64 73.22 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.631 -0.827 . . . . 0.0 109.707 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.929 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.17 -68.28 0.18 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.171 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.11 -32.36 74.02 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.496 -178.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.81 -50.36 57.27 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.23 -51.15 60.01 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.978 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 42.4 m -52.09 -54.98 23.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.632 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 6.0 tp -39.22 -35.75 0.27 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.124 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.695 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.32 -44.98 54.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.174 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.978 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -45.59 -49.65 13.91 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.523 1.154 . . . . 0.0 112.35 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.705 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -78.55 -28.67 46.06 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.444 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.3 mm100 -67.95 -29.98 69.16 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.795 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.9 pp -94.97 -22.62 17.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.064 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' HD12 ' A' ' 21' ' ' LEU . 51.0 p -59.44 -55.07 39.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.76 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 22' ' ' SER . 1.2 t 177.92 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.517 ' HB2' ' HA ' ' A' ' 20' ' ' GLN . 35.3 mmtt -63.63 -172.51 0.06 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.561 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.885 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 3' ' ' SER . 18.1 mtpt -107.96 -157.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.456 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 0.4 OUTLIER 61.78 19.84 10.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.364 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.613 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -40.12 -35.76 0.42 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.394 -179.209 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.558 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.3 -50.04 0.12 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.08 0.467 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -86.66 -67.25 0.83 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.604 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -44.8 -56.45 4.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.427 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.887 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.34 -44.86 62.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.223 0.535 . . . . 0.0 110.944 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.775 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.69 -47.99 2.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 -177.391 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.84 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -56.27 -41.24 75.5 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.999 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.887 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.56 -68.33 0.21 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.31 -1.314 . . . . 0.0 112.32 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.38 -32.5 73.93 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.951 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . . . -67.43 -51.64 49.2 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 mm? -52.63 -51.27 60.82 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.959 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.7 m -51.65 -56.76 11.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.645 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -37.39 -36.74 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.412 178.704 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.38 -48.01 65.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.797 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.959 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.77 -54.75 3.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.488 1.137 . . . . 0.0 113.08 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.634 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -76.58 -27.42 55.81 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.568 -1.651 . . . . 0.0 107.096 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.664 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 1.9 tt0 -67.39 -22.9 65.53 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.684 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.35 -6.11 21.11 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.123 -178.028 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 23' ' ' SER . 38.4 m -132.99 -2.67 3.21 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' ALA . 13.1 t 178.3 43.82 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.351 0.596 . . . . 0.0 110.208 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -56.63 176.33 0.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.787 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.65 0.262 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -87.36 -92.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.798 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.37 25.64 1.36 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.118 0.485 . . . . 0.0 110.103 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 -41.51 -34.85 0.61 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.067 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.01 -49.11 0.1 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 110.288 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.0 -67.69 0.78 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.809 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 15.0 m -45.28 -57.04 4.27 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.588 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.884 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.161 0.505 . . . . 0.0 110.714 178.579 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.705 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.37 -46.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.158 -178.233 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.68 -43.22 72.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.974 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.884 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.88 0.22 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.192 -1.367 . . . . 0.0 112.259 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.17 -32.67 74.47 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.489 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.82 -49.5 65.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.334 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -52.97 -52.13 59.22 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 176.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.083 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.3 m -50.81 -54.08 26.66 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.563 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.698 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -41.03 -35.98 0.61 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.077 178.597 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.807 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.14 -41.3 60.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.119 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.083 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -47.2 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.92 1.343 . . . . 0.0 111.477 179.544 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.816 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -54.14 -26.29 26.89 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 113.725 -1.58 . . . . 0.0 108.743 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -73.85 -33.65 64.2 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.822 0.82 . . . . 0.0 109.529 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.8 pp -92.17 3.01 56.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.838 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.4 m -143.4 -0.18 1.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.99 49.62 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.196 0.522 . . . . 0.0 110.11 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -76.03 59.95 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.428 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.84 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt 59.48 41.26 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -85.37 27.04 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.312 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 8.6 m170 -38.94 -32.21 0.08 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.279 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -33.53 -55.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.637 0.732 . . . . 0.0 109.829 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -89.83 -48.73 7.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.471 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.952 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -53.02 -62.49 1.62 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.294 179.085 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.927 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.293 0.568 . . . . 0.0 109.856 178.142 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.711 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.76 -46.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.816 -178.536 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.952 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.66 -42.96 71.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.898 0.856 . . . . 0.0 109.594 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.927 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.02 -68.5 0.17 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.393 179.408 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.711 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.59 74.32 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.746 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.1 -50.05 62.9 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.317 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.0 mp -52.6 -52.23 56.24 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.0 m -50.84 -52.98 36.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.37 176.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.681 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 7.6 tp -41.04 -36.21 0.65 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.002 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.813 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.04 -40.57 58.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.056 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.09 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -48.54 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.791 1.281 . . . . 0.0 111.417 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.821 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -53.58 -25.62 18.11 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.831 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.8 -35.84 64.94 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.798 0.809 . . . . 0.0 109.299 178.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.7 pp -88.6 3.37 50.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.594 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -134.24 -12.64 2.44 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.99 67.94 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -85.83 19.7 2.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.165 -178.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.898 0.38 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -117.13 -151.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 58.02 22.49 8.94 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -40.56 -35.7 0.49 Allowed 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.296 -179.147 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.97 -48.84 0.09 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.25 0.548 . . . . 0.0 110.176 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.62 -68.18 0.75 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.717 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.5 m -45.09 -56.53 4.62 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.533 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.865 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.11 -45.19 43.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.499 . . . . 0.0 110.898 178.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.69 -46.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -177.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.52 -43.0 75.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.912 179.259 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.17 -67.92 0.22 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.354 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.725 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.78 -32.65 74.43 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.468 -178.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.15 -49.35 65.08 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.413 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -52.59 -51.93 57.56 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.195 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.02 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.7 -54.98 22.31 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.53 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.7 OUTLIER -39.77 -34.34 0.25 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.252 178.535 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.698 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.64 -45.36 66.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.246 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.02 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.81 -62.83 0.9 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.773 1.273 . . . . 0.0 112.639 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.645 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -67.69 -27.81 67.15 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.417 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 1.5 tt0 -66.08 -33.7 76.39 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.49 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -93.77 -4.43 50.34 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.415 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -135.89 -0.74 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 171.34 49.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.287 0.565 . . . . 0.0 110.362 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 5.1 ptpt -57.43 178.95 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.269 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.919 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.32 45.55 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.675 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -81.11 32.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.364 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' A' ' 8' ' ' TYR . 7.4 m170 -39.44 -33.47 0.16 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.027 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.74 -54.82 0.46 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.774 0.797 . . . . 0.0 109.65 178.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.425 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.37 -50.62 5.71 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.737 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.949 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 2.2 m -51.83 -60.07 3.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.14 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.924 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.3 -43.09 61.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.312 0.577 . . . . 0.0 109.768 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.713 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.79 -48.07 1.47 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.982 -178.275 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.949 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.54 -42.46 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 0.0 109.848 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.924 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.83 -68.03 0.21 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.308 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.713 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.23 -32.56 74.05 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.87 -178.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.63 -50.38 51.83 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.539 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -53.6 -49.87 66.85 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 177.273 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.015 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 61.8 m -53.27 -55.77 21.92 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.756 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -39.34 -34.69 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.271 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.64 -47.42 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.191 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.015 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -39.58 -62.98 0.62 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.95 1.357 . . . . 0.0 112.408 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.663 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -68.5 -29.5 68.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 113.078 -1.873 . . . . 0.0 107.598 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.709 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 2.5 tt0 -62.99 -26.43 68.85 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.705 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -99.46 -41.0 7.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.025 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -103.73 26.06 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.781 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -168.78 -26.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.656 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 21.4 mtmt 39.15 33.14 0.08 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.954 -179.787 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.138 0.494 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -138.99 -81.48 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.01 20.93 0.88 Allowed 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.621 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -44.26 -33.78 1.69 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.817 -178.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.12 -52.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.189 0.518 . . . . 0.0 110.267 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -82.52 -69.8 0.6 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.677 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.892 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 14.7 m -43.0 -56.15 3.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.596 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.864 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.88 -45.37 64.09 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.227 0.537 . . . . 0.0 110.609 178.354 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.745 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -37.81 -47.78 1.05 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.036 -177.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.892 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.99 -42.33 76.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.015 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.864 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.97 -66.75 0.35 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.196 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.745 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.82 -31.05 71.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.443 -179.191 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.86 -55.89 11.19 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 pp -51.81 -44.44 63.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.969 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.9 m -55.79 -56.17 23.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.646 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 3.1 tp -38.44 -36.12 0.22 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.324 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.06 -46.07 52.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.171 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.969 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -44.29 -45.34 8.62 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.726 -1.125 . . . . 0.0 112.482 179.295 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.694 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -82.81 -29.24 29.68 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.559 -1.655 . . . . 0.0 107.388 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 3.4 mm-40 -67.55 -21.16 65.47 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER -107.19 -12.06 15.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.943 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.82 9.91 4.62 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' ALA . 45.5 t -179.15 32.41 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 1.2 ptmt -55.1 131.58 45.41 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.044 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.915 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.83 0.348 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -125.12 -164.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.85 18.56 7.52 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.611 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 3.6 m170 -42.48 -29.38 0.27 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.092 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.8 p -35.7 -57.65 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . . . -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.88 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 49.3 m -55.24 -60.05 3.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.363 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.959 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.72 -39.39 62.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.447 0.641 . . . . 0.0 109.305 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -40.73 -48.5 3.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.715 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.88 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.14 -41.1 71.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.891 0.853 . . . . 0.0 109.7 178.82 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.959 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.57 -68.5 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.098 -1.41 . . . . 0.0 112.18 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.759 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.87 -31.66 72.4 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.184 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.11 -49.74 59.24 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.55 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -55.23 -51.2 67.37 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 177.069 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.961 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 30.2 m -50.43 -56.08 13.04 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.751 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 1.5 tp -37.21 -37.97 0.19 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.99 -44.34 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.086 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.961 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -45.75 -46.45 15.17 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.534 1.159 . . . . 0.0 112.001 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.722 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -81.84 -26.42 34.29 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 113.418 -1.719 . . . . 0.0 107.712 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.7 mm100 -73.87 -21.54 60.06 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.525 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -95.93 -22.15 17.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.565 -178.371 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -149.5 24.77 0.88 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' CA ' ' A' ' 19' ' ' ALA . 58.9 m -153.77 12.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 110.741 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 20.5 mttt -44.63 165.6 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.805 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.864 179.788 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.728 0.299 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 62.18 -134.94 0.51 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 59.69 19.33 8.02 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 109.996 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.1 m170 -40.09 -32.61 0.18 Allowed 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.321 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.83 -52.02 0.41 Allowed 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.131 0.491 . . . . 0.0 110.47 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.54 -59.52 2.42 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.586 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.953 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -48.3 -59.14 3.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.174 179.077 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.925 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.78 -44.38 48.89 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.218 0.533 . . . . 0.0 110.297 178.317 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.696 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.6 -46.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.926 -178.307 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.953 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.89 -42.52 72.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.783 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.27 -67.65 0.24 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.15 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.696 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.58 -32.27 73.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.462 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.74 -50.4 57.48 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.341 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.9 tp -53.17 -50.46 64.57 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.988 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -51.43 -54.15 29.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.689 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -39.0 -36.58 0.3 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.199 178.274 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.645 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.11 -45.03 52.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.179 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.988 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -44.11 -47.68 8.99 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.418 1.104 . . . . 0.0 112.419 179.431 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.706 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -80.71 -28.67 36.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.304 -1.771 . . . . 0.0 107.424 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.8 mm-40 -69.9 -21.88 63.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.056 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -104.71 -12.07 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.974 -178.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -132.18 10.81 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' ALA . 98.3 p -177.58 33.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.701 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -50.96 118.81 3.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.494 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.756 0.313 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -99.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 52.26 22.28 1.94 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.91 0.386 . . . . 0.0 110.566 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.4 m170 -43.63 -26.92 0.26 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.593 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -42.26 -59.81 1.68 Allowed 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.658 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -73.69 -47.91 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.58 0.705 . . . . 0.0 110.747 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.961 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -52.04 -64.29 0.86 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.683 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.938 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.23 -39.68 57.13 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.44 -47.21 1.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.166 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.961 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.7 -42.53 71.57 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.944 0.878 . . . . 0.0 109.483 179.095 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.938 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -55.07 -68.37 0.2 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.591 179.07 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.52 -32.11 73.62 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.732 -178.535 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.64 -51.96 43.85 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -53.77 -49.9 67.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 177.107 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.999 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 52.0 m -50.98 -55.08 19.05 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.219 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.681 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -39.14 -36.1 0.28 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.348 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.83 -45.06 59.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.014 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.999 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -43.92 -52.8 6.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.535 1.16 . . . . 0.0 112.393 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.717 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -74.48 -28.92 61.22 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.373 -1.74 . . . . 0.0 107.637 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.5 mm100 -70.81 -21.46 62.47 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.213 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.5 pp -107.71 -9.0 15.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.918 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.419 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -135.75 7.24 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -171.49 29.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.088 0.47 . . . . 0.0 110.701 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.619 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -55.86 115.85 2.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.398 -179.466 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.922 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.741 0.305 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.57 -155.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 m 58.09 22.24 8.78 Favored 'General case' 0 CA--C 1.523 -0.06 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 -40.66 -36.12 0.56 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.497 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.531 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.37 -49.17 0.11 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.88 -67.21 0.82 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.552 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.882 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -44.92 -56.51 4.51 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.52 179.333 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.908 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.43 -45.95 56.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.194 0.521 . . . . 0.0 110.827 178.634 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.739 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.07 -47.18 1.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.367 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.882 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.75 -42.45 75.44 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.895 179.385 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.908 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.397 -1.274 . . . . 0.0 112.282 179.32 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.739 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.04 -32.31 73.7 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.768 -178.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.97 -51.75 43.83 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.325 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.1 tp -52.65 -50.04 63.98 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.984 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 40.4 m -52.0 -54.82 25.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 2.8 tp -38.71 -36.3 0.25 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.227 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.56 -45.84 57.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.166 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.984 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -43.67 -49.76 7.69 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.494 1.14 . . . . 0.0 112.548 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.679 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -79.06 -28.86 43.19 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.328 -1.76 . . . . 0.0 107.547 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.1 mm100 -67.76 -26.89 66.34 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.955 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.618 HD12 ' OG ' ' A' ' 22' ' ' SER . 0.3 OUTLIER -97.87 -36.27 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.395 -179.276 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.618 ' OG ' HD12 ' A' ' 21' ' ' LEU . 5.2 m -99.57 22.41 10.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.68 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 -32.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.042 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 30.48 39.91 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 179.211 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -131.94 -101.09 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 54.78 20.0 2.82 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.3 m170 -42.36 -32.18 0.49 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -32.15 -52.59 0.27 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.168 0.508 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -81.47 -63.56 1.37 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.69 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.922 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -45.84 -58.54 3.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.471 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.933 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.37 -45.88 55.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.255 0.55 . . . . 0.0 110.504 178.37 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.377 -178.134 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.922 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.16 -42.1 72.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.821 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.933 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.81 -67.76 0.23 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.166 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.41 -32.2 73.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.543 -179.051 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.93 -50.79 53.94 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.445 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -53.72 -50.13 66.6 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.264 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.977 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 53.6 m -51.64 -54.5 27.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.761 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 4.1 tp -37.82 -36.79 0.2 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.113 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.17 -48.05 54.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.036 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.977 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -40.02 -49.19 2.51 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.49 1.138 . . . . 0.0 112.531 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.669 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -78.95 -32.04 45.28 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.092 -1.867 . . . . 0.0 107.446 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 56.0 mm-40 -59.96 -22.79 62.96 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.082 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.6 -54.56 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.261 -179.606 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.1 p -84.27 11.94 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.732 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -143.73 -32.7 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 14.0 mttt 36.0 77.64 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.77 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.841 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.857 0.361 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.84 -113.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 55.72 19.26 3.29 Favored 'General case' 0 C--O 1.23 0.044 0 CA-C-O 120.785 0.326 . . . . 0.0 110.59 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.6 m170 -42.56 -30.23 0.34 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.554 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 1.4 m -35.78 -55.69 0.71 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.09 0.471 . . . . 0.0 110.757 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -79.43 -54.31 6.05 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.563 0.697 . . . . 0.0 110.565 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.956 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -50.26 -61.4 2.19 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.947 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.96 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.45 -43.15 55.1 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.244 0.545 . . . . 0.0 110.137 177.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.67 -46.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.106 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.956 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.62 -43.41 72.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.879 0.847 . . . . 0.0 109.563 179.143 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.96 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -52.74 -68.24 0.19 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.464 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.71 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.71 -32.02 73.34 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.073 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.97 -50.24 50.85 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.62 -50.78 64.95 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 177.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.019 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.1 m -52.11 -55.09 23.03 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.577 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 4.3 tp -39.54 -34.36 0.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.431 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.18 -45.76 68.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.11 178.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.019 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -42.44 -61.63 1.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.631 1.205 . . . . 0.0 112.838 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.625 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -69.84 -27.52 64.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.508 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.588 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.8 OUTLIER -65.3 -33.31 75.68 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.28 178.721 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -96.82 -5.89 37.29 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.906 -1.497 . . . . 0.0 112.214 -178.051 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 t -126.26 -12.32 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 22' ' ' SER . 33.3 t 174.62 53.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 110.175 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 5.1 pttt -59.75 141.47 55.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.435 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.896 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.3 mttm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.34 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -88.75 -91.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p 48.01 27.88 1.31 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.4 m170 -40.96 -33.5 0.32 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.088 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -32.01 -48.94 0.17 Allowed 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.225 0.536 . . . . 0.0 110.154 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.57 -66.01 0.94 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.77 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.963 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 69.8 m -46.44 -58.18 3.99 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.543 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.87 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.24 -45.43 34.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.256 0.551 . . . . 0.0 110.474 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.693 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.258 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.963 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.42 -42.9 71.03 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.035 179.624 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.87 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -54.33 -67.49 0.26 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.246 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.693 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.92 -32.48 74.21 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.214 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.4 -45.16 73.43 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.04 -53.52 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.772 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.98 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 38.6 m -51.76 -55.21 21.09 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.418 175.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.673 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 7.8 tp -38.74 -36.66 0.28 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.239 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.682 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.96 -46.45 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.068 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.98 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -41.98 -52.4 4.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.437 1.113 . . . . 0.0 112.871 179.595 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.689 ' N ' ' ND1' ' A' ' 18' ' ' HIS . . . -77.46 -29.04 52.56 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.495 -1.684 . . . . 0.0 107.834 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mm-40 -69.19 -25.42 64.33 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.982 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.3 pp -101.82 -23.44 14.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.785 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.597 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -129.49 32.82 4.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.299 . . . . 0.0 111.496 -179.266 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -161.6 -31.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.95 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' SER . 14.1 mttp 30.2 62.62 0.18 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.883 -179.793 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.807 0.336 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -105.88 -99.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t 49.09 25.99 1.3 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.024 0.44 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -41.54 -35.73 0.78 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.159 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.544 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.71 -49.58 0.1 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.274 0.559 . . . . 0.0 110.333 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.49 -67.0 0.84 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -45.59 -56.96 4.56 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.512 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.886 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.89 -45.49 30.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.162 0.506 . . . . 0.0 110.804 178.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.29 -46.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.029 -178.326 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.79 -42.84 72.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.006 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.68 0.24 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.221 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.86 74.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.351 -179.092 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.84 -48.82 67.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 mp -52.89 -52.47 57.39 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 176.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 1.069 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.02 -54.14 27.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.47 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.641 ' HA ' ' CE1' ' A' ' 18' ' ' HIS . 0.5 OUTLIER -41.53 -33.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.29 178.524 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.742 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.97 -40.53 66.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.144 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 1.069 ' CG ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -48.36 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 122.787 1.28 . . . . 0.0 111.503 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.793 ' H ' ' CG ' ' A' ' 18' ' ' HIS . . . -53.74 -27.94 31.38 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.828 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.524 ' OE1' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.11 -41.68 94.69 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.841 178.449 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -87.36 -16.4 35.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.961 -178.517 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.408 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -129.21 26.51 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 111.354 -179.647 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -172.69 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 0.0 110.819 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 33.61 -165.46 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.144 178.657 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.766 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.6 OUTLIER . . . . . 0 CA--C 1.51 -0.583 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.51 -49.82 0.09 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.196 0.522 . . . . 0.0 110.373 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.2 -67.27 0.81 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.928 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.2 m -45.03 -57.31 3.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.442 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.885 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.65 -45.1 27.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.849 178.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.33 -46.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -178.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.928 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.87 -42.97 72.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.872 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.885 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.88 -67.82 0.23 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.296 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.98 -32.87 74.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.383 -179.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.72 -47.93 67.93 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.209 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -52.61 -52.62 54.52 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.975 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.6 m -51.53 -55.24 20.12 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.303 176.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.2 tp -37.96 -37.48 0.25 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.236 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.689 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.52 -46.67 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.112 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.233 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -42.47 -50.65 5.2 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 122.522 1.154 . . . . 0.0 112.873 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.233 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.91 -27.53 39.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.083 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.9 mm-40 -74.43 -23.31 58.91 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.704 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.251 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' TYR . 6.3 m170 . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -34.31 -55.08 0.52 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.709 0.766 . . . . 0.0 109.786 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.2 -49.82 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.539 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.96 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 1.8 m -52.44 -60.38 3.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.325 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.929 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.95 -44.0 60.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 178.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.706 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.24 -47.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.009 -178.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.96 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.12 -42.64 73.22 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.631 -0.827 . . . . 0.0 109.707 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.929 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.17 -68.28 0.18 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.171 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.11 -32.36 74.02 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.496 -178.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.81 -50.36 57.27 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.23 -51.15 60.01 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.978 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 42.4 m -52.09 -54.98 23.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.0 tp -39.22 -35.75 0.27 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.124 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.695 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.32 -44.98 54.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.174 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.215 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -45.59 -49.65 13.91 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.523 1.154 . . . . 0.0 112.35 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.215 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.55 -28.67 46.06 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.444 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.2 mm-40 -67.95 -29.98 69.16 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.795 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.9 pp . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.064 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.613 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.558 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.3 -50.04 0.12 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.08 0.467 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -86.66 -67.25 0.83 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.604 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -44.8 -56.45 4.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.427 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.887 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.34 -44.86 62.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.223 0.535 . . . . 0.0 110.944 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.775 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.69 -47.99 2.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 -177.391 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.84 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -56.27 -41.24 75.5 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.999 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.887 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.56 -68.33 0.21 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.31 -1.314 . . . . 0.0 112.32 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.38 -32.5 73.93 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.951 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . . . -67.43 -51.64 49.2 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 mm? -52.63 -51.27 60.82 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 1.009 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 45.7 m -51.65 -56.76 11.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.645 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -37.39 -36.74 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.412 178.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.38 -48.01 65.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.797 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.222 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -42.77 -54.75 3.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.488 1.137 . . . . 0.0 113.08 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.222 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -76.58 -27.42 55.81 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.568 -1.651 . . . . 0.0 107.096 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.628 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -67.39 -22.9 65.53 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.684 178.778 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.315 -0.925 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.123 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.01 -49.11 0.1 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 110.288 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.0 -67.69 0.78 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.809 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 15.0 m -45.28 -57.04 4.27 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.588 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.884 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.161 0.505 . . . . 0.0 110.714 178.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.705 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.37 -46.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.158 -178.233 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.68 -43.22 72.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.974 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.884 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.88 0.22 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.192 -1.367 . . . . 0.0 112.259 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.17 -32.67 74.47 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.489 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.82 -49.5 65.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.334 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -52.97 -52.13 59.22 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 176.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 1.083 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.3 m -50.81 -54.08 26.66 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.563 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.667 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -41.03 -35.98 0.61 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.077 178.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.807 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.14 -41.3 60.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.119 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.3 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -47.2 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.92 1.343 . . . . 0.0 111.477 179.544 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.3 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -54.14 -26.29 26.89 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 113.725 -1.58 . . . . 0.0 108.743 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.85 -33.65 64.2 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.822 0.82 . . . . 0.0 109.529 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.8 pp . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.838 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 8.6 m170 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -33.53 -55.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.637 0.732 . . . . 0.0 109.829 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.45 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -89.83 -48.73 7.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.471 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.952 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -53.02 -62.49 1.62 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.294 179.085 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.927 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.293 0.568 . . . . 0.0 109.856 178.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.711 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.76 -46.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.816 -178.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.952 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.66 -42.96 71.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.898 0.856 . . . . 0.0 109.594 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.927 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.02 -68.5 0.17 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.393 179.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.711 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.59 74.32 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.746 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.1 -50.05 62.9 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.317 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.0 mp -52.6 -52.23 56.24 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.0 m -50.84 -52.98 36.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.37 176.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.6 tp -41.04 -36.21 0.65 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.002 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.813 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.04 -40.57 58.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.056 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.292 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -48.54 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.791 1.281 . . . . 0.0 111.417 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.292 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.58 -25.62 18.11 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.831 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.8 -35.84 64.94 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.798 0.809 . . . . 0.0 109.299 178.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.7 pp . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.594 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.8 OUTLIER . . . . . 0 CA--C 1.509 -0.608 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.97 -48.84 0.09 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.25 0.548 . . . . 0.0 110.176 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.62 -68.18 0.75 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.717 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.5 m -45.09 -56.53 4.62 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.533 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.865 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.11 -45.19 43.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.499 . . . . 0.0 110.898 178.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.69 -46.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -177.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.52 -43.0 75.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.912 179.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.17 -67.92 0.22 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.354 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.725 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.78 -32.65 74.43 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.468 -178.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.15 -49.35 65.08 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.413 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -52.59 -51.93 57.56 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 1.02 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.7 -54.98 22.31 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.53 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -39.77 -34.34 0.25 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.252 178.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.698 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.64 -45.36 66.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.246 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.29 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.81 -62.83 0.9 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.773 1.273 . . . . 0.0 112.639 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.29 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -67.69 -27.81 67.15 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.417 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.08 -33.7 76.39 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.49 178.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.317 -0.804 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.415 -177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' A' ' 8' ' ' TYR . 7.4 m170 . . . . . 0 CA--C 1.517 -0.308 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.74 -54.82 0.46 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.774 0.797 . . . . 0.0 109.65 178.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.425 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.37 -50.62 5.71 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.737 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.949 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 2.2 m -51.83 -60.07 3.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.14 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.924 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.3 -43.09 61.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.312 0.577 . . . . 0.0 109.768 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.713 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.79 -48.07 1.47 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.982 -178.275 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.949 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.54 -42.46 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 0.0 109.848 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.924 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.83 -68.03 0.21 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.308 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.713 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.23 -32.56 74.05 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.87 -178.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.63 -50.38 51.83 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.539 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -53.6 -49.87 66.85 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 177.273 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 1.026 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 61.8 m -53.27 -55.77 21.92 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.756 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -39.34 -34.69 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.271 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.64 -47.42 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.191 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.293 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -39.58 -62.98 0.62 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.95 1.357 . . . . 0.0 112.408 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.293 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -68.5 -29.5 68.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 113.078 -1.873 . . . . 0.0 107.598 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.99 -26.43 68.85 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.705 178.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.649 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.025 -178.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.621 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.12 -52.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.189 0.518 . . . . 0.0 110.267 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -82.52 -69.8 0.6 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.677 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.892 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 14.7 m -43.0 -56.15 3.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.596 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.864 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.88 -45.37 64.09 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.227 0.537 . . . . 0.0 110.609 178.354 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.745 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -37.81 -47.78 1.05 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.036 -177.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.892 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.99 -42.33 76.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.015 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.864 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.97 -66.75 0.35 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.196 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.745 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.82 -31.05 71.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.443 -179.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.86 -55.89 11.19 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 pp -51.81 -44.44 63.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.969 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.9 m -55.79 -56.17 23.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 3.1 tp -38.44 -36.12 0.22 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.324 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.06 -46.07 52.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.171 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.132 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -44.29 -45.34 8.62 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.726 -1.125 . . . . 0.0 112.482 179.295 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.132 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -82.81 -29.24 29.68 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.559 -1.655 . . . . 0.0 107.388 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.4 mm-40 -67.55 -21.16 65.47 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.943 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.611 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 3.6 m170 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.8 p -35.7 -57.65 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . . . -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.88 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 49.3 m -55.24 -60.05 3.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.363 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.959 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.72 -39.39 62.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.447 0.641 . . . . 0.0 109.305 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -40.73 -48.5 3.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.715 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.88 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.14 -41.1 71.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.891 0.853 . . . . 0.0 109.7 178.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.959 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.57 -68.5 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.098 -1.41 . . . . 0.0 112.18 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.759 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.87 -31.66 72.4 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.184 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.11 -49.74 59.24 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.55 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -55.23 -51.2 67.37 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 177.069 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.961 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 30.2 m -50.43 -56.08 13.04 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.751 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 1.5 tp -37.21 -37.97 0.19 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.99 -44.34 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.086 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.183 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -45.75 -46.45 15.17 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.534 1.159 . . . . 0.0 112.001 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.183 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -81.84 -26.42 34.29 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 113.418 -1.719 . . . . 0.0 107.712 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 4.5 mm-40 -73.87 -21.54 60.06 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.525 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.565 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.51 -0.583 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.83 -52.02 0.41 Allowed 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.131 0.491 . . . . 0.0 110.47 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.54 -59.52 2.42 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.586 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.953 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -48.3 -59.14 3.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.174 179.077 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.925 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.78 -44.38 48.89 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.218 0.533 . . . . 0.0 110.297 178.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.696 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.6 -46.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.926 -178.307 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.953 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.89 -42.52 72.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.783 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.27 -67.65 0.24 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.15 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.696 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.58 -32.27 73.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.462 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.74 -50.4 57.48 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.341 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.9 tp -53.17 -50.46 64.57 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.988 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -51.43 -54.15 29.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -39.0 -36.58 0.3 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.199 178.274 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.645 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.11 -45.03 52.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.179 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.181 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -44.11 -47.68 8.99 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.418 1.104 . . . . 0.0 112.419 179.431 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.181 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -80.71 -28.67 36.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.304 -1.771 . . . . 0.0 107.424 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.8 mm-40 -69.9 -21.88 63.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.056 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.974 -178.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.4 m170 . . . . . 0 CA--C 1.507 -0.708 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.593 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -42.26 -59.81 1.68 Allowed 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.658 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -73.69 -47.91 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.58 0.705 . . . . 0.0 110.747 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.961 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -52.04 -64.29 0.86 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.683 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.938 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.23 -39.68 57.13 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.44 -47.21 1.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.166 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.961 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.7 -42.53 71.57 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.944 0.878 . . . . 0.0 109.483 179.095 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.938 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -55.07 -68.37 0.2 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.591 179.07 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.52 -32.11 73.62 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.732 -178.535 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.64 -51.96 43.85 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -53.77 -49.9 67.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 177.107 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.999 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 52.0 m -50.98 -55.08 19.05 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.219 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.676 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -39.14 -36.1 0.28 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.348 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.83 -45.06 59.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.014 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.282 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.92 -52.8 6.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.535 1.16 . . . . 0.0 112.393 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.282 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -74.48 -28.92 61.22 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.373 -1.74 . . . . 0.0 107.637 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.4 mm-40 -70.81 -21.46 62.47 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.213 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.5 pp . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.918 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.531 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.37 -49.17 0.11 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.88 -67.21 0.82 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.552 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.882 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -44.92 -56.51 4.51 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.52 179.333 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.908 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.43 -45.95 56.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.194 0.521 . . . . 0.0 110.827 178.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.739 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.07 -47.18 1.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.367 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.882 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.75 -42.45 75.44 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.895 179.385 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.908 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.397 -1.274 . . . . 0.0 112.282 179.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.739 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.04 -32.31 73.7 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.768 -178.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.97 -51.75 43.83 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.325 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.1 tp -52.65 -50.04 63.98 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.984 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 40.4 m -52.0 -54.82 25.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 2.8 tp -38.71 -36.3 0.25 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.227 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.56 -45.84 57.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.166 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.21 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.67 -49.76 7.69 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.494 1.14 . . . . 0.0 112.548 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.21 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.06 -28.86 43.19 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.328 -1.76 . . . . 0.0 107.547 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.4 mm-40 -67.76 -26.89 66.34 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.955 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.395 -179.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.3 m170 . . . . . 0 CA--C 1.508 -0.646 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -32.15 -52.59 0.27 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.168 0.508 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -81.47 -63.56 1.37 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.69 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.922 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -45.84 -58.54 3.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.471 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.933 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.37 -45.88 55.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.255 0.55 . . . . 0.0 110.504 178.37 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.377 -178.134 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.922 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.16 -42.1 72.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.821 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.933 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.81 -67.76 0.23 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.166 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.41 -32.2 73.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.543 -179.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.93 -50.79 53.94 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.445 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -53.72 -50.13 66.6 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.264 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.977 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 53.6 m -51.64 -54.5 27.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.761 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 4.1 tp -37.82 -36.79 0.2 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.113 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.17 -48.05 54.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.036 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.173 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -40.02 -49.19 2.51 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.49 1.138 . . . . 0.0 112.531 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.173 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.95 -32.04 45.28 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.092 -1.867 . . . . 0.0 107.446 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 5.4 mm100 -59.96 -22.79 62.96 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.082 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.261 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.6 m170 . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.554 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 1.4 m -35.78 -55.69 0.71 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.09 0.471 . . . . 0.0 110.757 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -79.43 -54.31 6.05 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.563 0.697 . . . . 0.0 110.565 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.956 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -50.26 -61.4 2.19 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.947 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.96 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.45 -43.15 55.1 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.244 0.545 . . . . 0.0 110.137 177.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.67 -46.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.106 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.956 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.62 -43.41 72.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.879 0.847 . . . . 0.0 109.563 179.143 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.96 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -52.74 -68.24 0.19 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.464 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.71 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.71 -32.02 73.34 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.073 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.97 -50.24 50.85 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.62 -50.78 64.95 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 177.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 1.019 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.1 m -52.11 -55.09 23.03 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.577 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 4.3 tp -39.54 -34.36 0.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.431 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.648 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.18 -45.76 68.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.11 178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.275 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.44 -61.63 1.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.631 1.205 . . . . 0.0 112.838 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.275 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -69.84 -27.52 64.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.508 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.588 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.3 -33.31 75.68 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.28 178.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER . . . . . 0 C--N 1.318 -0.775 0 CA-C-N 113.906 -1.497 . . . . 0.0 112.214 -178.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.4 m170 . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.517 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -32.01 -48.94 0.17 Allowed 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.225 0.536 . . . . 0.0 110.154 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.57 -66.01 0.94 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.77 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.963 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 69.8 m -46.44 -58.18 3.99 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.543 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.87 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.24 -45.43 34.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.256 0.551 . . . . 0.0 110.474 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.693 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.258 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.963 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.42 -42.9 71.03 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.035 179.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.87 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -54.33 -67.49 0.26 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.246 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.693 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.92 -32.48 74.21 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.214 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.4 -45.16 73.43 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.04 -53.52 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.98 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 38.6 m -51.76 -55.21 21.09 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.418 175.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.634 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.8 tp -38.74 -36.66 0.28 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.239 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.682 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.96 -46.45 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.068 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.228 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -41.98 -52.4 4.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.437 1.113 . . . . 0.0 112.871 179.595 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.228 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -77.46 -29.04 52.56 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.495 -1.684 . . . . 0.0 107.834 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mm-40 -69.19 -25.42 64.33 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.982 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.3 pp . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.785 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.544 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.71 -49.58 0.1 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.274 0.559 . . . . 0.0 110.333 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.49 -67.0 0.84 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -45.59 -56.96 4.56 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.512 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.886 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.89 -45.49 30.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.162 0.506 . . . . 0.0 110.804 178.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.29 -46.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.029 -178.326 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.79 -42.84 72.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.006 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.68 0.24 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.221 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.86 74.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.351 -179.092 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.84 -48.82 67.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 mp -52.89 -52.47 57.39 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 176.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 1.069 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.02 -54.14 27.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.47 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.673 HD22 ' NE2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -41.53 -33.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.29 178.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.742 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.97 -40.53 66.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.144 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 1.269 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -48.36 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 122.787 1.28 . . . . 0.0 111.503 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.269 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.74 -27.94 31.38 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.828 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.11 -41.68 94.69 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.841 178.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.961 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.6 mttt . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.77 0.319 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? 60.81 -111.97 0.5 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.8 p 49.74 26.14 1.76 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.062 0.458 . . . . 0.0 110.092 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.568 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -40.83 -35.88 0.56 Allowed 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.144 -179.246 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.532 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.51 -49.82 0.09 Allowed 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 121.196 0.522 . . . . 0.0 110.373 179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.2 -67.27 0.81 Allowed 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.659 179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.928 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.2 m -45.03 -57.31 3.93 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.862 -1.063 . . . . 0.0 110.442 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.885 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.65 -45.1 27.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 120.995 0.426 . . . . 0.0 110.849 178.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.33 -46.24 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.893 -178.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.928 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.87 -42.97 72.71 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 119.504 -0.879 . . . . 0.0 109.872 179.184 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.885 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.88 -67.82 0.23 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.296 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.98 -32.87 74.81 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.383 -179.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.72 -47.93 67.93 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.209 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -52.61 -52.62 54.52 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 176.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.975 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 45.6 m -51.53 -55.24 20.12 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.303 176.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.682 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.2 tp -37.96 -37.48 0.25 Allowed 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.236 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.689 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.52 -46.67 48.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.112 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.233 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -42.47 -50.65 5.2 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 122.522 1.154 . . . . 0.0 112.873 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.233 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.91 -27.53 39.92 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.431 -1.713 . . . . 0.0 108.083 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.682 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.9 mm-40 -74.43 -23.31 58.91 Favored 'General case' 0 N--CA 1.425 -1.684 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.704 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -93.15 -17.46 23.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.557 -0.747 . . . . 0.0 112.251 -178.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -158.18 30.75 0.25 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.469 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . 4.6 m -164.29 18.39 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.801 0.334 . . . . 0.0 111.074 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 34.0 mtmt -52.46 161.06 0.73 Allowed 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.57 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.959 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.774 0.321 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 57.08 36.69 27.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -85.97 33.26 0.6 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.096 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.573 ' O ' ' N ' ' A' ' 8' ' ' TYR . 6.3 m170 -39.48 -32.76 0.13 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.294 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.465 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -34.31 -55.08 0.52 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.709 0.766 . . . . 0.0 109.786 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.428 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.2 -49.82 6.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.539 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.96 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 1.8 m -52.44 -60.38 3.3 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.325 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.929 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.95 -44.0 60.38 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.341 0.591 . . . . 0.0 109.859 178.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.706 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.24 -47.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.009 -178.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.96 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.12 -42.64 73.22 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 119.631 -0.827 . . . . 0.0 109.707 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.929 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.17 -68.28 0.18 Allowed 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.284 -1.326 . . . . 0.0 112.171 179.278 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.11 -32.36 74.02 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.496 -178.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.81 -50.36 57.27 Favored 'General case' 0 N--CA 1.437 -1.083 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.344 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.62 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -52.23 -51.15 60.01 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.978 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 42.4 m -52.09 -54.98 23.74 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 6.0 tp -39.22 -35.75 0.27 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.124 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.695 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.32 -44.98 54.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.174 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.215 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -45.59 -49.65 13.91 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 122.523 1.154 . . . . 0.0 112.35 179.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.215 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.55 -28.67 46.06 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 113.697 -1.592 . . . . 0.0 107.444 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.609 ' NE2' ' HG3' ' A' ' 24' ' ' LYS . 1.2 mm-40 -67.95 -29.98 69.16 Favored 'General case' 0 N--CA 1.428 -1.529 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.795 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.9 pp -94.97 -22.62 17.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.426 -1.261 . . . . 0.0 110.064 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.412 ' N ' HD12 ' A' ' 21' ' ' LEU . 51.0 p -59.44 -55.07 39.27 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.76 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 22' ' ' SER . 1.2 t 177.92 28.51 0.0 OUTLIER 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.76 0.314 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HG3' ' NE2' ' A' ' 20' ' ' GLN . 35.3 mmtt -63.63 -172.51 0.06 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.561 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.885 179.824 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' HB3' ' H ' ' A' ' 3' ' ' SER . 18.1 mtpt -107.96 -157.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.456 ' H ' ' HB3' ' A' ' 2' ' ' LYS . 0.4 OUTLIER 61.78 19.84 10.91 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.364 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.613 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -40.12 -35.76 0.42 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.394 -179.209 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.558 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.3 -50.04 0.12 Allowed 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.08 0.467 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -86.66 -67.25 0.83 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.604 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.84 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -44.8 -56.45 4.48 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.427 179.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.887 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.34 -44.86 62.15 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.223 0.535 . . . . 0.0 110.944 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.775 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.69 -47.99 2.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 -177.391 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.84 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -56.27 -41.24 75.5 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.999 179.007 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.887 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -55.56 -68.33 0.21 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 114.31 -1.314 . . . . 0.0 112.32 179.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.38 -32.5 73.93 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 114.86 -1.064 . . . . 0.0 111.951 -178.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . . . -67.43 -51.64 49.2 Favored 'General case' 0 N--CA 1.439 -1.02 0 O-C-N 123.442 0.464 . . . . 0.0 110.396 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.605 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 mm? -52.63 -51.27 60.82 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 177.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.009 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 45.7 m -51.65 -56.76 11.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.645 176.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.628 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -37.39 -36.74 0.16 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.412 178.704 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.649 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.38 -48.01 65.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.797 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.222 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -42.77 -54.75 3.95 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.488 1.137 . . . . 0.0 113.08 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.222 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -76.58 -27.42 55.81 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.568 -1.651 . . . . 0.0 107.096 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.664 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -67.39 -22.9 65.53 Favored 'General case' 0 N--CA 1.421 -1.888 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.684 178.778 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -104.35 -6.11 21.11 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.123 -178.028 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 23' ' ' SER . 38.4 m -132.99 -2.67 3.21 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 19' ' ' ALA . 13.1 t 178.3 43.82 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.351 0.596 . . . . 0.0 110.208 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.664 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -56.63 176.33 0.1 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.787 -179.393 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.753 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.65 0.262 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -87.36 -92.78 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.798 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.37 25.64 1.36 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.118 0.485 . . . . 0.0 110.103 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 -41.51 -34.85 0.61 Allowed 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.551 -0.749 . . . . 0.0 112.067 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.519 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.01 -49.11 0.1 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 121.199 0.523 . . . . 0.0 110.288 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.0 -67.69 0.78 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.809 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 15.0 m -45.28 -57.04 4.27 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.588 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.884 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.16 -45.29 33.23 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.161 0.505 . . . . 0.0 110.714 178.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.705 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.37 -46.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.158 -178.233 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.68 -43.22 72.25 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.514 -0.874 . . . . 0.0 109.974 179.369 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.884 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.88 0.22 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.192 -1.367 . . . . 0.0 112.259 179.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.17 -32.67 74.47 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.489 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.82 -49.5 65.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.334 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.604 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -52.97 -52.13 59.22 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 176.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.083 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.3 m -50.81 -54.08 26.66 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.563 176.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.667 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -41.03 -35.98 0.61 Allowed 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.077 178.597 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.807 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.14 -41.3 60.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.119 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.3 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -47.2 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.92 1.343 . . . . 0.0 111.477 179.544 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.3 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -54.14 -26.29 26.89 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-N 113.725 -1.58 . . . . 0.0 108.743 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.667 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -73.85 -33.65 64.2 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.822 0.82 . . . . 0.0 109.529 178.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.8 pp -92.17 3.01 56.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.838 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.4 m -143.4 -0.18 1.11 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.99 49.62 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.196 0.522 . . . . 0.0 110.11 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -76.03 59.95 1.36 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.428 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.0 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.84 0.353 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt 59.48 41.26 19.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -85.37 27.04 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.312 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 8.6 m170 -38.94 -32.21 0.08 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.279 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.1 p -33.53 -55.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.637 0.732 . . . . 0.0 109.829 179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.45 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -89.83 -48.73 7.05 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.471 178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.952 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -53.02 -62.49 1.62 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.294 179.085 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.927 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.48 -42.16 42.53 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.293 0.568 . . . . 0.0 109.856 178.142 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.711 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.76 -46.68 1.29 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.816 -178.536 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.952 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.66 -42.96 71.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.898 0.856 . . . . 0.0 109.594 179.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.927 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -54.02 -68.5 0.17 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.393 179.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.711 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.59 74.32 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.746 -178.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.1 -50.05 62.9 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.317 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 5.0 mp -52.6 -52.23 56.24 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.09 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.0 m -50.84 -52.98 36.13 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.76 -1.109 . . . . 0.0 108.37 176.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.633 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.6 tp -41.04 -36.21 0.65 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.002 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.813 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -51.04 -40.57 58.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.056 178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.292 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -48.54 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 122.791 1.281 . . . . 0.0 111.417 179.479 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.292 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.58 -25.62 18.11 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 113.851 -1.522 . . . . 0.0 108.831 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.8 -35.84 64.94 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.798 0.809 . . . . 0.0 109.299 178.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.813 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.7 pp -88.6 3.37 50.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.681 -1.145 . . . . 0.0 111.594 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -134.24 -12.64 2.44 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.99 67.94 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -85.83 19.7 2.43 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.165 -178.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.898 0.38 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -117.13 -151.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 58.02 22.49 8.94 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -40.56 -35.7 0.49 Allowed 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.296 -179.147 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.97 -48.84 0.09 Allowed 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.25 0.548 . . . . 0.0 110.176 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.62 -68.18 0.75 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.717 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.901 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 17.5 m -45.09 -56.53 4.62 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.533 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.865 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -49.11 -45.19 43.03 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.149 0.499 . . . . 0.0 110.898 178.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.69 -46.81 1.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -177.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.901 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.52 -43.0 75.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.912 179.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.865 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.17 -67.92 0.22 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.354 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.725 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.78 -32.65 74.43 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.468 -178.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.15 -49.35 65.08 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.413 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.596 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -52.59 -51.93 57.56 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.195 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.02 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.7 -54.98 22.31 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.885 -1.052 . . . . 0.0 108.53 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.577 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 0.7 OUTLIER -39.77 -34.34 0.25 Allowed 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.252 178.535 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.698 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -52.64 -45.36 66.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.246 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.29 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.81 -62.83 0.9 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.773 1.273 . . . . 0.0 112.639 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.29 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -67.69 -27.81 67.15 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.556 -1.656 . . . . 0.0 107.417 178.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -66.08 -33.7 76.39 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.49 178.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -93.77 -4.43 50.34 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.415 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.9 m -135.89 -0.74 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER 171.34 49.38 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.287 0.565 . . . . 0.0 110.362 -179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 5.1 ptpt -57.43 178.95 0.06 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.269 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.919 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mttp . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 120.862 0.363 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.32 45.55 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.675 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -81.11 32.85 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.364 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.561 ' O ' ' N ' ' A' ' 8' ' ' TYR . 7.4 m170 -39.44 -33.47 0.16 Allowed 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.027 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.74 -54.82 0.46 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.774 0.797 . . . . 0.0 109.65 178.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.425 ' N ' ' OG1' ' A' ' 5' ' ' THR . . . -91.37 -50.62 5.71 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.347 -1.297 . . . . 0.0 110.737 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.949 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 2.2 m -51.83 -60.07 3.59 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.14 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.924 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.3 -43.09 61.57 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.312 0.577 . . . . 0.0 109.768 178.02 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.713 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.79 -48.07 1.47 Allowed 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.982 -178.275 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.949 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.54 -42.46 70.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 0.0 109.848 179.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.924 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.83 -68.03 0.21 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.308 179.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.713 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.23 -32.56 74.05 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.87 -178.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.536 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.63 -50.38 51.83 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.539 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -53.6 -49.87 66.85 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 177.273 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.026 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 61.8 m -53.27 -55.77 21.92 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.756 176.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -39.34 -34.69 0.21 Allowed 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.271 178.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.64 -47.42 70.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.191 178.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.293 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -39.58 -62.98 0.62 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 122.95 1.357 . . . . 0.0 112.408 179.594 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.293 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -68.5 -29.5 68.11 Favored 'General case' 0 C--N 1.299 -1.614 0 CA-C-N 113.078 -1.873 . . . . 0.0 107.598 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.709 ' O ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -62.99 -26.43 68.85 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.705 178.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -99.46 -41.0 7.58 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.025 -178.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.6 t -103.73 26.06 9.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.781 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -168.78 -26.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.656 -179.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 21.4 mtmt 39.15 33.14 0.08 Allowed 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.954 -179.787 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.138 0.494 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -138.99 -81.48 0.3 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.761 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.01 20.93 0.88 Allowed 'General case' 0 N--CA 1.462 0.127 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.621 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -44.26 -33.78 1.69 Allowed 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.817 -178.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.537 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.12 -52.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 121.189 0.518 . . . . 0.0 110.267 179.803 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -82.52 -69.8 0.6 Allowed 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.677 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.892 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 14.7 m -43.0 -56.15 3.45 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.596 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.864 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -51.88 -45.37 64.09 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.227 0.537 . . . . 0.0 110.609 178.354 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.745 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -37.81 -47.78 1.05 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.036 -177.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.892 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.99 -42.33 76.19 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 119.564 -0.854 . . . . 0.0 110.015 179.255 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.864 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -54.97 -66.75 0.35 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.196 179.304 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.745 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.82 -31.05 71.41 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.443 -179.191 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.86 -55.89 11.19 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.635 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.6 pp -51.81 -44.44 63.5 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.969 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 35.9 m -55.79 -56.17 23.75 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 3.1 tp -38.44 -36.12 0.22 Allowed 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.324 178.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.06 -46.07 52.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.171 178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.132 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -44.29 -45.34 8.62 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 114.726 -1.125 . . . . 0.0 112.482 179.295 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.132 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -82.81 -29.24 29.68 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-N 113.559 -1.655 . . . . 0.0 107.388 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.618 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 3.4 mm-40 -67.55 -21.16 65.47 Favored 'General case' 0 N--CA 1.426 -1.664 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 177.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.0 OUTLIER -107.19 -12.06 15.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.696 -1.138 . . . . 0.0 111.943 -178.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.82 9.91 4.62 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 19' ' ' ALA . 45.5 t -179.15 32.41 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.618 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 1.2 ptmt -55.1 131.58 45.41 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.044 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.915 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 120.83 0.348 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -125.12 -164.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.85 18.56 7.52 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.611 ' HA ' ' HB2' ' A' ' 7' ' ' SER . 3.6 m170 -42.48 -29.38 0.27 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.092 -179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.8 p -35.7 -57.65 0.64 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.074 0.464 . . . . 0.0 110.423 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 9' ' ' LEU . . . -93.52 -41.94 9.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.393 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.88 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 49.3 m -55.24 -60.05 3.94 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.363 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.959 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -52.72 -39.39 62.03 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.447 0.641 . . . . 0.0 109.305 177.346 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.759 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -40.73 -48.5 3.0 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.715 -178.395 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.88 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.14 -41.1 71.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.891 0.853 . . . . 0.0 109.7 178.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.959 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 1.0 OUTLIER -54.57 -68.5 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.098 -1.41 . . . . 0.0 112.18 178.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.759 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.87 -31.66 72.4 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 114.972 -1.013 . . . . 0.0 112.184 -178.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.11 -49.74 59.24 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.55 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -55.23 -51.2 67.37 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 177.069 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.961 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 30.2 m -50.43 -56.08 13.04 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 176.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.751 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 1.5 tp -37.21 -37.97 0.19 Allowed 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.68 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.637 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.99 -44.34 50.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.086 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.183 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -45.75 -46.45 15.17 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 122.534 1.159 . . . . 0.0 112.001 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.183 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -81.84 -26.42 34.29 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 113.418 -1.719 . . . . 0.0 107.712 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.751 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 4.5 mm-40 -73.87 -21.54 60.06 Favored 'General case' 0 N--CA 1.424 -1.752 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.525 178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -95.93 -22.15 17.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.565 -178.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -149.5 24.77 0.88 Allowed 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.347 -0.541 . . . . 0.0 112.342 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' CA ' ' A' ' 19' ' ' ALA . 58.9 m -153.77 12.12 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.791 0.329 . . . . 0.0 110.741 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 20.5 mttt -44.63 165.6 0.01 OUTLIER 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.805 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.864 179.788 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 10.4 mttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.728 0.299 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mttt 62.18 -134.94 0.51 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.511 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 59.69 19.33 8.02 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.997 0.427 . . . . 0.0 109.996 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.1 m170 -40.09 -32.61 0.18 Allowed 'General case' 0 CA--C 1.51 -0.583 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.321 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.495 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -33.83 -52.02 0.41 Allowed 'General case' 0 N--CA 1.442 -0.861 0 CA-C-O 121.131 0.491 . . . . 0.0 110.47 -179.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.54 -59.52 2.42 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.586 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.953 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.6 OUTLIER -48.3 -59.14 3.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.174 179.077 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.925 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -49.78 -44.38 48.89 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.218 0.533 . . . . 0.0 110.297 178.317 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.696 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.6 -46.67 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.926 -178.307 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.953 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.89 -42.52 72.21 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.783 179.201 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.925 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.27 -67.65 0.24 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.215 -1.357 . . . . 0.0 112.15 179.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.696 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.58 -32.27 73.76 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.462 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.74 -50.4 57.48 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.341 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.9 tp -53.17 -50.46 64.57 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.988 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 57.1 m -51.43 -54.15 29.64 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -39.0 -36.58 0.3 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.199 178.274 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.645 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.11 -45.03 52.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.179 178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.181 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -44.11 -47.68 8.99 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 122.418 1.104 . . . . 0.0 112.419 179.431 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.181 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -80.71 -28.67 36.55 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.304 -1.771 . . . . 0.0 107.424 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.8 mm-40 -69.9 -21.88 63.27 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.056 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -104.71 -12.07 16.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.974 -178.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -132.18 10.81 4.56 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 19' ' ' ALA . 98.3 p -177.58 33.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 110.701 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.593 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -50.96 118.81 3.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.494 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.756 0.313 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.08 -99.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.783 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 52.26 22.28 1.94 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.91 0.386 . . . . 0.0 110.566 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.542 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.4 m170 -43.63 -26.92 0.26 Allowed 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.593 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 4.2 m -42.26 -59.81 1.68 Allowed 'General case' 0 N--CA 1.433 -1.317 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.658 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -73.69 -47.91 36.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.58 0.705 . . . . 0.0 110.747 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.961 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -52.04 -64.29 0.86 Allowed 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.683 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.938 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -51.23 -39.68 57.13 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.14 0.495 . . . . 0.0 109.951 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.44 -47.21 1.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.007 0.432 . . . . 0.0 110.166 -178.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.961 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.7 -42.53 71.57 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 121.944 0.878 . . . . 0.0 109.483 179.095 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.938 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -55.07 -68.37 0.2 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.591 179.07 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.52 -32.11 73.62 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.925 -1.034 . . . . 0.0 111.732 -178.535 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.64 -51.96 43.85 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.336 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.8 OUTLIER -53.77 -49.9 67.23 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 177.107 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.999 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 52.0 m -50.98 -55.08 19.05 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.219 176.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.676 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 0.3 OUTLIER -39.14 -36.1 0.28 Allowed 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.348 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.83 -45.06 59.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.014 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.282 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.92 -52.8 6.63 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 122.535 1.16 . . . . 0.0 112.393 179.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.282 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -74.48 -28.92 61.22 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 113.373 -1.74 . . . . 0.0 107.637 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.676 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 3.4 mm-40 -70.81 -21.46 62.47 Favored 'General case' 0 N--CA 1.429 -1.488 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.213 178.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.5 pp -107.71 -9.0 15.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.918 -178.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.419 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -135.75 7.24 3.24 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.305 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -171.49 29.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.088 0.47 . . . . 0.0 110.701 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.619 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -55.86 115.85 2.62 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.398 -179.466 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.922 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 120.741 0.305 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.57 -155.99 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 m 58.09 22.24 8.78 Favored 'General case' 0 CA--C 1.523 -0.06 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.1 m170 -40.66 -36.12 0.56 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.497 -179.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.531 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -30.37 -49.17 0.11 Allowed 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 121.237 0.541 . . . . 0.0 110.173 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.88 -67.21 0.82 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.552 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.882 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -44.92 -56.51 4.51 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.52 179.333 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.908 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.43 -45.95 56.19 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 121.194 0.521 . . . . 0.0 110.827 178.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.739 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -39.07 -47.18 1.49 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.367 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.882 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.75 -42.45 75.44 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 119.504 -0.878 . . . . 0.0 109.895 179.385 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.908 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.397 -1.274 . . . . 0.0 112.282 179.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.739 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -66.04 -32.31 73.7 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.768 -178.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.97 -51.75 43.83 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.325 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 3.1 tp -52.65 -50.04 63.98 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 177.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.984 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 40.4 m -52.0 -54.82 25.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.655 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 2.8 tp -38.71 -36.3 0.25 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.227 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.56 -45.84 57.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.166 178.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.21 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -43.67 -49.76 7.69 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 122.494 1.14 . . . . 0.0 112.548 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.21 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -79.06 -28.86 43.19 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 113.328 -1.76 . . . . 0.0 107.547 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.655 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 1.4 mm-40 -67.76 -26.89 66.34 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.955 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.618 HD12 ' OG ' ' A' ' 22' ' ' SER . 0.3 OUTLIER -97.87 -36.27 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.395 -179.276 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.618 ' OG ' HD12 ' A' ' 21' ' ' LEU . 5.2 m -99.57 22.41 10.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.68 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.86 -32.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.042 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HG2' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 30.48 39.91 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 179.211 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.836 0.351 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -131.94 -101.09 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m 54.78 20.0 2.82 Favored 'General case' 0 N--CA 1.46 0.065 0 CA-C-O 120.876 0.37 . . . . 0.0 110.387 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.563 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.3 m170 -42.36 -32.18 0.49 Allowed 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.503 ' C ' ' O ' ' A' ' 4' ' ' HIS . 1.0 OUTLIER -32.15 -52.59 0.27 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-O 121.168 0.508 . . . . 0.0 110.378 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -81.47 -63.56 1.37 Allowed 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.69 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.922 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -45.84 -58.54 3.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.471 179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.933 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -50.37 -45.88 55.61 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.255 0.55 . . . . 0.0 110.504 178.37 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.75 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.377 -178.134 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.922 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -55.16 -42.1 72.68 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.52 -0.872 . . . . 0.0 109.821 179.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.933 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.81 -67.76 0.23 Allowed 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.17 -1.377 . . . . 0.0 112.166 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.692 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.41 -32.2 73.71 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.543 -179.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -67.93 -50.79 53.94 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.445 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -53.72 -50.13 66.6 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 177.264 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.977 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 53.6 m -51.64 -54.5 27.22 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 175.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.761 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 4.1 tp -37.82 -36.79 0.2 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 114.517 -1.219 . . . . 0.0 110.113 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -50.17 -48.05 54.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.036 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.173 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -40.02 -49.19 2.51 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 122.49 1.138 . . . . 0.0 112.531 179.143 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.173 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -78.95 -32.04 45.28 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.092 -1.867 . . . . 0.0 107.446 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.761 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 5.4 mm100 -59.96 -22.79 62.96 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.082 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.795 HD11 ' HA ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -103.6 -54.56 2.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.261 -179.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.1 p -84.27 11.94 7.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.732 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -143.73 -32.7 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.178 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 20' ' ' GLN . 14.0 mttt 36.0 77.64 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 115.614 -0.721 . . . . 0.0 112.77 178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.841 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 120.857 0.361 . . . . 0.0 111.505 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -104.84 -113.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.41 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t 55.72 19.26 3.29 Favored 'General case' 0 C--O 1.23 0.044 0 CA-C-O 120.785 0.326 . . . . 0.0 110.59 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.601 ' O ' ' N ' ' A' ' 8' ' ' TYR . 1.6 m170 -42.56 -30.23 0.34 Allowed 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.215 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.554 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 1.4 m -35.78 -55.69 0.71 Allowed 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.09 0.471 . . . . 0.0 110.757 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -79.43 -54.31 6.05 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.563 0.697 . . . . 0.0 110.565 179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.956 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -50.26 -61.4 2.19 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.947 179.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.96 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -50.45 -43.15 55.1 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.244 0.545 . . . . 0.0 110.137 177.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -38.67 -46.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.106 -178.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.956 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.62 -43.41 72.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.879 0.847 . . . . 0.0 109.563 179.143 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.96 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -52.74 -68.24 0.19 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.464 179.259 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.71 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.71 -32.02 73.34 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.073 -178.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.97 -50.24 50.85 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.414 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.62 -50.78 64.95 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 177.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.019 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 67.1 m -52.11 -55.09 23.03 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.577 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 20' ' ' GLN . 4.3 tp -39.54 -34.36 0.22 Allowed 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.431 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.648 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.18 -45.76 68.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.11 178.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.275 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -42.44 -61.63 1.16 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 122.631 1.205 . . . . 0.0 112.838 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.275 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -69.84 -27.52 64.92 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.505 -1.68 . . . . 0.0 107.508 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.588 ' HB2' ' O ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -65.3 -33.31 75.68 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 114.418 -1.264 . . . . 0.0 110.28 178.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -96.82 -5.89 37.29 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.906 -1.497 . . . . 0.0 112.214 -178.051 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 23' ' ' SER . 40.8 t -126.26 -12.32 6.28 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.476 ' HB2' ' O ' ' A' ' 22' ' ' SER . 33.3 t 174.62 53.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.298 0.57 . . . . 0.0 110.175 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 5.1 pttt -59.75 141.47 55.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.435 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.896 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.3 mttm . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.34 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -88.75 -91.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p 48.01 27.88 1.31 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.031 0.443 . . . . 0.0 110.185 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 1.4 m170 -40.96 -33.5 0.32 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.088 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -32.01 -48.94 0.17 Allowed 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.225 0.536 . . . . 0.0 110.154 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -83.57 -66.01 0.94 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.77 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.963 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 69.8 m -46.44 -58.18 3.99 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.543 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.87 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -48.24 -45.43 34.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.256 0.551 . . . . 0.0 110.474 178.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.693 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.17 -46.15 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.258 -178.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.963 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.42 -42.9 71.03 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 119.556 -0.857 . . . . 0.0 110.035 179.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.87 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -54.33 -67.49 0.26 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.273 -1.33 . . . . 0.0 112.246 179.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.693 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -64.92 -32.48 74.21 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.214 -179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -68.4 -45.16 73.43 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.292 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.583 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.2 OUTLIER -53.04 -53.52 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 176.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.98 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 38.6 m -51.76 -55.21 21.09 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.418 175.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.634 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.8 tp -38.74 -36.66 0.28 Allowed 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.646 -1.161 . . . . 0.0 110.239 178.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.682 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -49.96 -46.45 52.33 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.068 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.228 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -41.98 -52.4 4.17 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 122.437 1.113 . . . . 0.0 112.871 179.595 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.228 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -77.46 -29.04 52.56 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 113.495 -1.684 . . . . 0.0 107.834 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 2.3 mm-40 -69.19 -25.42 64.33 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.982 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 1.3 pp -101.82 -23.44 14.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.785 -179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.597 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -129.49 32.82 4.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.729 0.299 . . . . 0.0 111.496 -179.266 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.3 OUTLIER -161.6 -31.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.95 179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' SER . 14.1 mttp 30.2 62.62 0.18 Allowed 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.883 -179.793 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.807 0.336 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -105.88 -99.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t 49.09 25.99 1.3 Allowed 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.024 0.44 . . . . 0.0 110.118 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -41.54 -35.73 0.78 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.159 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.544 ' C ' ' O ' ' A' ' 4' ' ' HIS . 0.9 OUTLIER -29.71 -49.58 0.1 Allowed 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 121.274 0.559 . . . . 0.0 110.333 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 9' ' ' LEU . . . -85.49 -67.0 0.84 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.748 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.941 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -45.59 -56.96 4.56 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.512 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.886 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.89 -45.49 30.56 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.162 0.506 . . . . 0.0 110.804 178.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.694 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -38.29 -46.55 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.029 -178.326 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.941 ' HD3' ' O ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -54.79 -42.84 72.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.524 -0.87 . . . . 0.0 110.006 179.333 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.886 ' HB3' ' O ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -53.73 -67.68 0.24 Allowed 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.145 -1.389 . . . . 0.0 112.221 179.438 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.694 ' CE3' ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -65.3 -32.86 74.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.351 -179.092 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HA ' ' HB2' ' A' ' 16' ' ' LEU . . . -66.84 -48.82 67.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.328 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 6.1 mp -52.89 -52.47 57.39 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 176.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 1.069 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 58.5 m -51.02 -54.14 27.27 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.823 -1.08 . . . . 0.0 108.47 176.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.673 HD22 ' NE2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -41.53 -33.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.43 -1.259 . . . . 0.0 110.29 178.524 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.742 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -53.97 -40.53 66.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.144 178.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 1.269 ' CD2' ' H ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -48.36 -72.94 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 122.787 1.28 . . . . 0.0 111.503 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.269 ' H ' ' CD2' ' A' ' 18' ' ' HIS . . . -53.74 -27.94 31.38 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 113.925 -1.489 . . . . 0.0 107.828 177.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -65.11 -41.68 94.69 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.841 178.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.742 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 0.6 OUTLIER -87.36 -16.4 35.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.961 -178.517 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.408 ' HB2' HD12 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -129.21 26.51 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.669 0.271 . . . . 0.0 111.354 -179.647 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' O ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -172.69 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.863 0.363 . . . . 0.0 110.819 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER 33.61 -165.46 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.144 178.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.766 -179.669 . . . . . . . . 2 2 . 1 stop_ save_