data_1d7n_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 1d7n _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 3' ' ' LEU . . . . . 0.461 ' HA ' ' HB2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.565 1.527 0 CA-C-O 121.832 0.825 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -77.0 -18.72 58.01 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 124.066 0.947 . . . . 0.0 109.96 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.83 91.35 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.805 -1.184 . . . . 0.0 108.079 158.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.48 -36.37 83.96 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.071 1.348 . . . . 0.0 109.93 179.134 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.34 34.75 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 122.567 1.175 . . . . 0.0 109.041 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.781 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -66.21 -27.77 68.23 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.401 1.88 . . . . 0.0 110.005 170.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 1.62 ' CD2' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.6 -53.99 7.71 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.566 1.174 . . . . 0.0 109.48 -177.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.08 -33.39 39.15 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 123.077 1.418 . . . . 0.0 108.422 164.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.781 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -68.54 -42.34 78.59 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 126.445 1.898 . . . . 0.0 109.728 -173.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.566 1.558 0 C-N-CA 124.876 1.27 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.566 1.577 0 CA-C-O 121.764 0.792 . . . . 0.0 109.697 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 35.0 tttm -96.98 -20.59 17.97 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 123.755 0.822 . . . . 0.0 110.889 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.01 73.74 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.508 -1.37 . . . . 0.0 109.198 160.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -66.2 -47.49 73.75 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 122.876 1.322 . . . . 0.0 108.811 177.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -63.95 -40.21 95.9 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.934 1.294 . . . . 0.0 108.717 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.23 79.85 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.685 1.594 . . . . 0.0 109.409 173.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.15 -26.97 62.31 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 123.901 0.88 . . . . 0.0 109.739 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.06 -32.15 73.14 Favored 'General case' 0 CA--C 1.566 1.584 0 CA-C-O 122.929 1.347 . . . . 0.0 107.645 170.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -68.49 -49.72 57.62 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 125.637 1.575 . . . . 0.0 108.984 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 tttt . . . . . 0 CA--C 1.565 1.524 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.342 -171.825 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 3' ' ' LEU . 2.3 mt . . . . . 0 CA--C 1.564 1.507 0 CA-C-O 122.105 0.955 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.93 -19.8 22.07 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.967 0.907 . . . . 0.0 110.199 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.23 82.26 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.75 -1.219 . . . . 0.0 108.274 159.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -46.17 90.26 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.228 1.011 . . . . 0.0 109.009 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . -72.04 -34.61 68.92 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-O 122.064 0.935 . . . . 0.0 108.944 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.93 90.63 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 125.508 1.523 . . . . 0.0 109.045 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.6 -24.07 61.83 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 124.252 1.021 . . . . 0.0 109.372 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -67.17 -43.09 83.11 Favored 'General case' 0 CA--C 1.566 1.588 0 C-N-CA 125.325 1.45 . . . . 0.0 108.163 166.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -40.81 95.66 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 125.36 1.464 . . . . 0.0 109.285 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp . . . . . 0 CA--C 1.563 1.468 0 CA-C-O 122.616 1.198 . . . . 0.0 109.651 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.2 mt . . . . . 0 CA--C 1.565 1.553 0 CA-C-O 122.166 0.984 . . . . 0.0 108.966 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 2.3 ttpm? -92.5 -20.01 21.41 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.602 1.161 . . . . 0.0 110.378 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.77 79.34 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 120.76 -1.213 . . . . 0.0 108.172 159.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -42.61 99.73 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.283 1.033 . . . . 0.0 109.078 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -68.07 -39.94 82.85 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 122.664 1.221 . . . . 0.0 108.512 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.15 79.83 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.899 1.68 . . . . 0.0 109.374 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.84 79.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 122.543 1.163 . . . . 0.0 108.381 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.98 71.04 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.445 1.116 . . . . 0.0 108.1 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -68.59 -41.3 79.83 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 125.307 1.443 . . . . 0.0 109.376 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.503 0 CA-C-O 122.348 1.07 . . . . 0.0 110.093 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 122.323 1.058 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.728 1.211 . . . . 0.0 110.532 162.027 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.557 ' O ' HD21 ' A' ' 9' ' ' LEU . . . -61.37 -51.94 66.69 Favored 'General case' 0 CA--C 1.566 1.583 0 O-C-N 120.841 -1.162 . . . . 0.0 109.221 162.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -30.61 71.63 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.867 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -76.37 -31.76 58.21 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.827 0.851 . . . . 0.0 108.994 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -78.76 -32.2 46.5 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 125.68 1.592 . . . . 0.0 109.711 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD21 ' O ' ' A' ' 5' ' ' ALA . 1.8 mm? -78.05 -18.44 55.8 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 109.394 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.33 -23.99 23.27 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 125.083 1.353 . . . . 0.0 108.138 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.12 -48.65 70.15 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 122.464 1.126 . . . . 0.0 108.924 174.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.842 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.569 1.682 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.229 -173.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.6 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.567 1.604 0 CA-C-O 123.036 1.398 . . . . 0.0 108.827 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.595 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 1.3 tppp? -93.54 -16.3 24.58 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.575 1.15 . . . . 0.0 110.514 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 9' ' ' LEU . . . -65.71 -42.36 91.23 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 120.672 -1.268 . . . . 0.0 108.505 159.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.6 HD13 ' H ' ' A' ' 3' ' ' LEU . 2.2 mp -68.97 -42.34 76.73 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 122.168 0.985 . . . . 0.0 108.912 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -68.03 -43.45 78.71 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.283 1.04 . . . . 0.0 108.684 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.56 1.144 . . . . 0.0 109.226 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -70.22 -34.33 72.75 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.96 0.904 . . . . 0.0 109.225 177.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -56.05 -40.54 73.67 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.528 1.156 . . . . 0.0 108.134 170.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 1.3 mttt -80.72 -31.7 36.01 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.729 1.611 . . . . 0.0 109.821 -173.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.532 0 C-N-CA 124.155 0.982 . . . . 0.0 110.831 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.566 1.58 0 CA-C-O 122.096 0.95 . . . . 0.0 108.602 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -77.7 -15.33 59.22 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.397 1.079 . . . . 0.0 110.118 161.073 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 9' ' ' LEU . . . -63.52 -43.45 97.14 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 120.288 -1.507 . . . . 0.0 107.864 158.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -68.25 -39.78 82.14 Favored 'General case' 0 CA--C 1.565 1.544 0 C-N-CA 124.722 1.209 . . . . 0.0 109.357 -178.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -69.97 -38.62 76.14 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.428 1.109 . . . . 0.0 108.664 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -71.29 -30.83 66.73 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.131 1.773 . . . . 0.0 109.905 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -76.24 -35.71 58.86 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.405 1.082 . . . . 0.0 108.898 178.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.67 91.86 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.54 1.162 . . . . 0.0 107.882 164.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.623 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -58.58 -47.27 84.86 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 125.349 1.459 . . . . 0.0 109.032 -172.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 2.1 tppt? . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 122.393 1.092 . . . . 0.0 110.251 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 CA--C 1.567 1.632 0 CA-C-O 121.644 0.735 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.783 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -93.53 -23.93 18.16 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.472 1.509 . . . . 0.0 110.732 174.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.24 91.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 159.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.557 ' O ' HD21 ' A' ' 9' ' ' LEU . 4.8 tp -65.37 -42.77 92.38 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.448 175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.783 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -73.79 -26.85 60.83 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.17 1.388 . . . . 0.0 109.402 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.937 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -87.64 -26.25 23.12 Favored 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 126.193 1.797 . . . . 0.0 109.54 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD21 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.25 -49.75 70.64 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.803 1.287 . . . . 0.0 108.595 165.491 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -20.34 64.28 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 124.883 1.273 . . . . 0.0 108.826 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.937 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mptt -71.32 -55.76 7.36 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.822 1.296 . . . . 0.0 108.982 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp . . . . . 0 CA--C 1.563 1.46 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.237 -174.145 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.647 ' HA ' HD22 ' A' ' 6' ' ' LEU . 4.5 tt . . . . . 0 CA--C 1.566 1.582 0 CA-C-O 122.255 1.026 . . . . 0.0 108.377 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.75 -13.22 59.93 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.157 0.983 . . . . 0.0 110.197 159.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.01 92.43 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.413 -1.429 . . . . 0.0 107.71 157.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -68.31 -40.33 81.72 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.694 1.197 . . . . 0.0 109.457 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -76.71 -21.18 55.68 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.072 0.949 . . . . 0.0 109.064 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.838 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -84.76 -29.89 25.12 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 125.841 1.657 . . . . 0.0 109.715 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tp -72.9 -33.21 65.86 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.382 1.087 . . . . 0.0 108.668 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.15 29.16 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 125.507 1.523 . . . . 0.0 108.295 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.838 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 11.6 tttt -59.46 -45.53 91.37 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.567 1.547 . . . . 0.0 109.049 167.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 1.6 tttm . . . . . 0 CA--C 1.565 1.521 0 C-N-CA 124.616 1.166 . . . . 0.0 110.315 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.647 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -81.18 -14.71 57.29 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.018 0.927 . . . . 0.0 110.181 179.408 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.432 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -67.67 -42.13 82.62 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 158.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -31.1 71.35 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.837 1.255 . . . . 0.0 109.986 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.68 ' O ' ' HD2' ' A' ' 11' ' ' LYS . . . -79.52 -30.02 41.72 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 122.297 1.046 . . . . 0.0 108.887 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -73.71 -36.26 65.22 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 126.391 1.876 . . . . 0.0 109.184 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 5' ' ' ALA . 8.5 mp -84.65 -25.7 28.32 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 122.081 0.943 . . . . 0.0 109.012 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.82 95.74 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 124.825 1.25 . . . . 0.0 108.502 160.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.68 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.39 -48.51 72.61 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.855 1.662 . . . . 0.0 109.203 -174.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.565 1.542 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.198 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.499 HG22 ' HB2' ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.506 2.331 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.502 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -108.66 25.83 11.26 Favored 'General case' 0 CA--C 1.564 1.504 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 166.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.499 ' HB2' HG22 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -92.6 -43.33 9.18 Favored 'General case' 0 CA--C 1.565 1.527 0 O-C-N 121.27 -0.894 . . . . 0.0 109.326 168.458 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -77.0 -18.72 58.01 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 124.066 0.947 . . . . 0.0 109.96 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . . . -65.82 -41.83 91.35 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.805 -1.184 . . . . 0.0 108.079 158.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -64.48 -36.37 83.96 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.071 1.348 . . . . 0.0 109.93 179.134 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.34 34.75 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 122.567 1.175 . . . . 0.0 109.041 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.781 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -66.21 -27.77 68.23 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.401 1.88 . . . . 0.0 110.005 170.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 1.62 ' CD2' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.6 -53.99 7.71 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.566 1.174 . . . . 0.0 109.48 -177.013 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' O ' HG13 ' A' ' 13' ' ' ILE . . . -52.08 -33.39 39.15 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 123.077 1.418 . . . . 0.0 108.422 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.781 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -68.54 -42.34 78.59 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 126.445 1.898 . . . . 0.0 109.728 -173.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 12.54 7.04 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 124.876 1.27 . . . . 0.0 111.199 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.68 HG13 ' O ' ' A' ' 10' ' ' ALA . 2.1 mt -79.09 -33.48 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.694 0 O-C-N 121.052 -1.03 . . . . 0.0 108.847 169.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.1 tm? 117.13 -72.85 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 127.158 2.183 . . . . 0.0 111.027 166.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 118.158 -2.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.684 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.512 2.654 0 CA-C-O 126.581 3.086 . . . . 0.0 107.605 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.684 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 3.7 m-20 83.68 -33.14 0.07 Allowed 'General case' 0 CA--C 1.565 1.53 0 CA-C-N 111.554 -2.567 . . . . 0.0 107.531 -170.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.89 -34.64 44.65 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 120.495 -1.378 . . . . 0.0 109.697 160.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.662 ' HB3' ' H1 ' ' A' ' 1' ' ' ILE . 35.0 tttm -96.98 -20.59 17.97 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 123.755 0.822 . . . . 0.0 110.889 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . . . -70.52 -40.01 73.74 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.508 -1.37 . . . . 0.0 109.198 160.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.665 ' HB3' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -66.2 -47.49 73.75 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 122.876 1.322 . . . . 0.0 108.811 177.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -63.95 -40.21 95.9 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.934 1.294 . . . . 0.0 108.717 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.23 79.85 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.685 1.594 . . . . 0.0 109.409 173.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.15 -26.97 62.31 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 123.901 0.88 . . . . 0.0 109.739 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.811 ' HA ' HG12 ' A' ' 13' ' ' ILE . . . -67.06 -32.15 73.14 Favored 'General case' 0 CA--C 1.566 1.584 0 CA-C-O 122.929 1.347 . . . . 0.0 107.645 170.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HZ2' ' HB2' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -68.49 -49.72 57.62 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 125.637 1.575 . . . . 0.0 108.984 178.269 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -86.12 -22.47 27.07 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.342 -171.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.811 HG12 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -56.15 -41.73 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt 74.0 47.78 0.15 Allowed 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 122.835 1.302 . . . . 0.0 111.744 166.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 O-C-N 118.114 -2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.799 HG22 ' N ' ' A' ' 3' ' ' LEU . 2.6 mm . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -122.62 60.49 1.01 Allowed 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 163.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.799 ' N ' HG22 ' A' ' 1' ' ' ILE . 2.3 mt -93.11 -45.88 7.69 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 122.105 0.955 . . . . 0.0 109.215 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.93 -19.8 22.07 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.967 0.907 . . . . 0.0 110.199 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.23 82.26 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.75 -1.219 . . . . 0.0 108.274 159.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -46.17 90.26 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.228 1.011 . . . . 0.0 109.009 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . -72.04 -34.61 68.92 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-O 122.064 0.935 . . . . 0.0 108.944 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.93 90.63 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 125.508 1.523 . . . . 0.0 109.045 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 13' ' ' ILE . 8.3 tp -71.6 -24.07 61.83 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 124.252 1.021 . . . . 0.0 109.372 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.859 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -67.17 -43.09 83.11 Favored 'General case' 0 CA--C 1.566 1.588 0 C-N-CA 125.325 1.45 . . . . 0.0 108.163 166.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -40.81 95.66 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 125.36 1.464 . . . . 0.0 109.285 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -121.43 39.6 3.8 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 122.616 1.198 . . . . 0.0 109.651 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.859 HG13 ' HA ' ' A' ' 10' ' ' ALA . 4.0 mt -61.18 -53.88 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 168.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp 76.46 87.06 0.08 Allowed 'General case' 0 CA--C 1.579 2.08 0 CA-C-O 122.793 1.282 . . . . 0.0 111.492 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 118.22 -2.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.896 HG22 ' HB2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.375 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.567 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 5.0 m-80 -85.54 3.01 42.48 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.943 0.897 . . . . 0.0 109.433 163.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.896 ' HB2' HG22 ' A' ' 1' ' ' ILE . 1.2 mt -77.27 -38.52 50.71 Favored 'General case' 0 CA--C 1.565 1.553 0 O-C-N 120.745 -1.222 . . . . 0.0 108.966 170.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.598 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 2.3 ttpm? -92.5 -20.01 21.41 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.602 1.161 . . . . 0.0 110.378 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.567 ' HB2' ' HA ' ' A' ' 2' ' ' ASN . . . -67.05 -44.77 79.34 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 120.76 -1.213 . . . . 0.0 108.172 159.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -42.61 99.73 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.283 1.033 . . . . 0.0 109.078 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -68.07 -39.94 82.85 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 122.664 1.221 . . . . 0.0 108.512 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.15 79.83 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.899 1.68 . . . . 0.0 109.374 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.84 79.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 122.543 1.163 . . . . 0.0 108.381 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -54.74 -41.98 71.04 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.445 1.116 . . . . 0.0 108.1 175.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -68.59 -41.3 79.83 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 125.307 1.443 . . . . 0.0 109.376 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.67 26.76 7.6 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 122.348 1.07 . . . . 0.0 110.093 -175.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.603 HG13 ' HA ' ' A' ' 10' ' ' ALA . 2.1 mt -63.57 -57.02 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.677 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 170.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' HB3' ' HN1' ' A' ' 15' ' ' NH2 . 0.3 OUTLIER 38.64 -102.93 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.892 1.277 . . . . 0.0 111.757 -175.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . 0.43 ' HN1' ' HB3' ' A' ' 14' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 118.183 -2.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.506 2.337 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.79 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 5.8 m-80 -142.77 53.64 1.4 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 167.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -37.04 20.08 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 125.543 1.537 . . . . 0.0 109.973 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.728 1.211 . . . . 0.0 110.532 162.027 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.79 ' HB2' ' O ' ' A' ' 2' ' ' ASN . . . -61.37 -51.94 66.69 Favored 'General case' 0 CA--C 1.566 1.583 0 O-C-N 120.841 -1.162 . . . . 0.0 109.221 162.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -30.61 71.63 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.867 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -76.37 -31.76 58.21 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.827 0.851 . . . . 0.0 108.994 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.528 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -78.76 -32.2 46.5 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 125.68 1.592 . . . . 0.0 109.711 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD21 ' O ' ' A' ' 5' ' ' ALA . 1.8 mm? -78.05 -18.44 55.8 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 109.394 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.33 -23.99 23.27 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 125.083 1.353 . . . . 0.0 108.138 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.12 -48.65 70.15 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 122.464 1.126 . . . . 0.0 108.924 174.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.97 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -92.19 -54.15 3.95 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.229 -173.574 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 ' O ' ' CG2' ' A' ' 13' ' ' ILE . 1.7 mp 68.17 38.88 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.993 0 CA-C-O 126.9 3.238 . . . . 0.0 105.962 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.97 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 3.4 tt -81.69 128.54 34.07 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-N 112.744 -2.026 . . . . 0.0 111.866 164.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 118.132 -2.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.516 ' H1 ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.297 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.929 ' CB ' ' HB2' ' A' ' 5' ' ' ALA . 22.1 m120 -58.59 -71.39 0.12 Allowed 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 167.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.6 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER 91.68 -56.43 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 125.572 1.549 . . . . 0.0 108.827 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.595 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 1.3 tppp? -93.54 -16.3 24.58 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.575 1.15 . . . . 0.0 110.514 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.929 ' HB2' ' CB ' ' A' ' 2' ' ' ASN . . . -65.71 -42.36 91.23 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 120.672 -1.268 . . . . 0.0 108.505 159.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.752 ' CD1' ' HB2' ' A' ' 2' ' ' ASN . 2.2 mp -68.97 -42.34 76.73 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 122.168 0.985 . . . . 0.0 108.912 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -68.03 -43.45 78.71 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.283 1.04 . . . . 0.0 108.684 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.56 1.144 . . . . 0.0 109.226 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.551 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -70.22 -34.33 72.75 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.96 0.904 . . . . 0.0 109.225 177.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 7' ' ' ALA . . . -56.05 -40.54 73.67 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.528 1.156 . . . . 0.0 108.134 170.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 1.3 mttt -80.72 -31.7 36.01 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.729 1.611 . . . . 0.0 109.821 -173.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -19.28 57.34 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 124.155 0.982 . . . . 0.0 110.831 175.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.58 ' O ' HD13 ' A' ' 14' ' ' LEU . 20.4 pt -96.1 28.18 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 108.653 160.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.642 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER 37.6 39.2 0.18 Allowed 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 124.431 2.062 . . . . 0.0 112.394 162.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.099 0 O-C-N 117.305 -3.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.611 HG21 HD23 ' A' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.832 ' HB3' ' H ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.3 -60.45 2.27 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 91.61 -43.14 0.02 OUTLIER 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 125.399 1.48 . . . . 0.0 108.602 -176.298 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -77.7 -15.33 59.22 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.397 1.079 . . . . 0.0 110.118 161.073 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.832 ' H ' ' HB3' ' A' ' 2' ' ' ASN . . . -63.52 -43.45 97.14 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 120.288 -1.507 . . . . 0.0 107.864 158.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD23 HG21 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -68.25 -39.78 82.14 Favored 'General case' 0 CA--C 1.565 1.544 0 C-N-CA 124.722 1.209 . . . . 0.0 109.357 -178.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -69.97 -38.62 76.14 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.428 1.109 . . . . 0.0 108.664 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.623 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -71.29 -30.83 66.73 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.131 1.773 . . . . 0.0 109.905 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -76.24 -35.71 58.86 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.405 1.082 . . . . 0.0 108.898 178.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.67 91.86 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.54 1.162 . . . . 0.0 107.882 164.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.623 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -58.58 -47.27 84.86 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 125.349 1.459 . . . . 0.0 109.032 -172.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 2.1 tppt? -92.05 -76.98 0.44 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 122.393 1.092 . . . . 0.0 110.251 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.4 mm 85.8 31.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.654 0 C-N-CA 125.463 1.505 . . . . 0.0 107.789 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.34 -57.22 3.13 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-O 123.045 1.403 . . . . 0.0 111.77 163.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 O-C-N 117.949 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.282 0 CA-C-O 122.764 1.268 . . . . 0.0 107.676 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.794 ' CB ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -76.8 -72.99 0.31 Allowed 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 158.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp 88.66 -38.97 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 125.513 1.525 . . . . 0.0 109.105 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.783 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -93.53 -23.93 18.16 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.472 1.509 . . . . 0.0 110.732 174.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.794 ' HB2' ' CB ' ' A' ' 2' ' ' ASN . . . -65.45 -43.24 91.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 159.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.557 ' O ' HD21 ' A' ' 9' ' ' LEU . 4.8 tp -65.37 -42.77 92.38 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.448 175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.783 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -73.79 -26.85 60.83 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.17 1.388 . . . . 0.0 109.402 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.937 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -87.64 -26.25 23.12 Favored 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 126.193 1.797 . . . . 0.0 109.54 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD21 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.25 -49.75 70.64 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.803 1.287 . . . . 0.0 108.595 165.491 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.826 ' HA ' HG12 ' A' ' 13' ' ' ILE . . . -62.35 -20.34 64.28 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 124.883 1.273 . . . . 0.0 108.826 173.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.937 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mptt -71.32 -55.76 7.36 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.822 1.296 . . . . 0.0 108.982 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -92.91 20.38 6.7 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.237 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.826 HG12 ' HA ' ' A' ' 10' ' ' ALA . 2.4 pt -85.97 -23.82 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 120.842 -1.161 . . . . 0.0 108.759 158.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER 81.46 -171.18 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.053 0 CA-C-O 122.753 1.263 . . . . 0.0 111.577 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 O-C-N 118.175 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.506 2.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 1.018 ' HB2' ' CB ' ' A' ' 5' ' ' ALA . 12.6 m-20 -54.67 -56.7 16.37 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.647 ' HA ' HD22 ' A' ' 6' ' ' LEU . 4.5 tt 92.28 -43.29 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.389 1.475 . . . . 0.0 108.377 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.75 -13.22 59.93 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.157 0.983 . . . . 0.0 110.197 159.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 1.018 ' CB ' ' HB2' ' A' ' 2' ' ' ASN . . . -64.46 -44.01 92.43 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.413 -1.429 . . . . 0.0 107.71 157.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -68.31 -40.33 81.72 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.694 1.197 . . . . 0.0 109.457 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . . . -76.71 -21.18 55.68 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.072 0.949 . . . . 0.0 109.064 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.838 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -84.76 -29.89 25.12 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 125.841 1.657 . . . . 0.0 109.715 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.738 ' O ' HG13 ' A' ' 13' ' ' ILE . 2.8 tp -72.9 -33.21 65.86 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.382 1.087 . . . . 0.0 108.668 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.571 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -83.72 -27.15 29.16 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 125.507 1.523 . . . . 0.0 108.295 175.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.838 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 11.6 tttt -59.46 -45.53 91.37 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.567 1.547 . . . . 0.0 109.049 167.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.76 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 1.6 tttm -104.59 17.95 23.16 Favored 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 124.616 1.166 . . . . 0.0 110.315 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.738 HG13 ' O ' ' A' ' 9' ' ' LEU . 16.0 mt -76.41 -44.85 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 O-C-N 120.276 -1.515 . . . . 0.0 107.842 160.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' HB3' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER 179.08 151.82 0.34 Allowed 'General case' 0 CA--C 1.578 2.023 0 CA-C-O 122.818 1.294 . . . . 0.0 111.752 177.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.223 0 O-C-N 118.116 -2.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.505 2.312 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' ALA . 0.9 OUTLIER -59.43 -37.66 78.66 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.712 1.205 . . . . 0.0 108.704 171.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.0 87.69 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.47 1.108 . . . . 0.0 109.824 -177.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.559 ' HA ' ' HB2' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -81.18 -14.71 57.29 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.018 0.927 . . . . 0.0 110.181 179.408 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 2' ' ' ASN . . . -67.67 -42.13 82.62 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 158.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -31.1 71.35 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.837 1.255 . . . . 0.0 109.986 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.68 ' O ' ' HD2' ' A' ' 11' ' ' LYS . . . -79.52 -30.02 41.72 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 122.297 1.046 . . . . 0.0 108.887 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -73.71 -36.26 65.22 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 126.391 1.876 . . . . 0.0 109.184 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 5' ' ' ALA . 8.5 mp -84.65 -25.7 28.32 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 122.081 0.943 . . . . 0.0 109.012 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.82 95.74 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 124.825 1.25 . . . . 0.0 108.502 160.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.68 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.39 -48.51 72.61 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.855 1.662 . . . . 0.0 109.203 -174.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.66 ' HG2' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -100.98 -75.7 0.58 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.198 -176.548 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.631 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER 85.23 20.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.609 0 C-N-CA 124.424 1.089 . . . . 0.0 108.133 168.684 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.66 ' H ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 173.14 113.7 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 125.001 1.32 . . . . 0.0 111.654 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 118.05 -2.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.565 1.527 0 CA-C-O 121.832 0.825 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -77.0 -18.72 58.01 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 124.066 0.947 . . . . 0.0 109.96 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.83 91.35 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.805 -1.184 . . . . 0.0 108.079 158.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -36.37 83.96 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.071 1.348 . . . . 0.0 109.93 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.34 34.75 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 122.567 1.175 . . . . 0.0 109.041 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.744 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -66.21 -27.77 68.23 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.401 1.88 . . . . 0.0 110.005 170.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -53.99 7.71 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.566 1.174 . . . . 0.0 109.48 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.08 -33.39 39.15 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 123.077 1.418 . . . . 0.0 108.422 164.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -68.54 -42.34 78.59 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 126.445 1.898 . . . . 0.0 109.728 -173.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.566 1.558 0 C-N-CA 124.876 1.27 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.566 1.577 0 CA-C-O 121.764 0.792 . . . . 0.0 109.697 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 35.0 tttm -96.98 -20.59 17.97 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 123.755 0.822 . . . . 0.0 110.889 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.01 73.74 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.508 -1.37 . . . . 0.0 109.198 160.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -66.2 -47.49 73.75 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 122.876 1.322 . . . . 0.0 108.811 177.762 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -63.95 -40.21 95.9 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.934 1.294 . . . . 0.0 108.717 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.23 79.85 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.685 1.594 . . . . 0.0 109.409 173.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.15 -26.97 62.31 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 123.901 0.88 . . . . 0.0 109.739 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.06 -32.15 73.14 Favored 'General case' 0 CA--C 1.566 1.584 0 CA-C-O 122.929 1.347 . . . . 0.0 107.645 170.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -49.72 57.62 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 125.637 1.575 . . . . 0.0 108.984 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 tttt . . . . . 0 CA--C 1.565 1.524 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.342 -171.825 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.564 1.507 0 CA-C-O 122.105 0.955 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.93 -19.8 22.07 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.967 0.907 . . . . 0.0 110.199 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.23 82.26 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.75 -1.219 . . . . 0.0 108.274 159.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -46.17 90.26 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.228 1.011 . . . . 0.0 109.009 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -72.04 -34.61 68.92 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-O 122.064 0.935 . . . . 0.0 108.944 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.93 90.63 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 125.508 1.523 . . . . 0.0 109.045 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.6 -24.07 61.83 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 124.252 1.021 . . . . 0.0 109.372 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -67.17 -43.09 83.11 Favored 'General case' 0 CA--C 1.566 1.588 0 C-N-CA 125.325 1.45 . . . . 0.0 108.163 166.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -40.81 95.66 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 125.36 1.464 . . . . 0.0 109.285 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp . . . . . 0 CA--C 1.563 1.468 0 CA-C-O 122.616 1.198 . . . . 0.0 109.651 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 CA--C 1.565 1.553 0 CA-C-O 122.166 0.984 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 2.3 ttpm? -92.5 -20.01 21.41 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.602 1.161 . . . . 0.0 110.378 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.77 79.34 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 120.76 -1.213 . . . . 0.0 108.172 159.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -42.61 99.73 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.283 1.033 . . . . 0.0 109.078 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.07 -39.94 82.85 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 122.664 1.221 . . . . 0.0 108.512 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.15 79.83 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.899 1.68 . . . . 0.0 109.374 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.84 79.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 122.543 1.163 . . . . 0.0 108.381 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.98 71.04 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.445 1.116 . . . . 0.0 108.1 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -68.59 -41.3 79.83 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 125.307 1.443 . . . . 0.0 109.376 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.503 0 CA-C-O 122.348 1.07 . . . . 0.0 110.093 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 122.323 1.058 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.728 1.211 . . . . 0.0 110.532 162.027 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.558 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -61.37 -51.94 66.69 Favored 'General case' 0 CA--C 1.566 1.583 0 O-C-N 120.841 -1.162 . . . . 0.0 109.221 162.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -30.61 71.63 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.867 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.37 -31.76 58.21 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.827 0.851 . . . . 0.0 108.994 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -78.76 -32.2 46.5 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 125.68 1.592 . . . . 0.0 109.711 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 5' ' ' ALA . 1.8 mm? -78.05 -18.44 55.8 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 109.394 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.33 -23.99 23.27 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 125.083 1.353 . . . . 0.0 108.138 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.12 -48.65 70.15 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 122.464 1.126 . . . . 0.0 108.924 174.61 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.813 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.569 1.682 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.229 -173.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.462 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.567 1.604 0 CA-C-O 123.036 1.398 . . . . 0.0 108.827 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 tppp? -93.54 -16.3 24.58 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.575 1.15 . . . . 0.0 110.514 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -65.71 -42.36 91.23 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 120.672 -1.268 . . . . 0.0 108.505 159.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 3' ' ' LEU . 2.2 mp -68.97 -42.34 76.73 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 122.168 0.985 . . . . 0.0 108.912 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.03 -43.45 78.71 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.283 1.04 . . . . 0.0 108.684 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.56 1.144 . . . . 0.0 109.226 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -70.22 -34.33 72.75 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.96 0.904 . . . . 0.0 109.225 177.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -56.05 -40.54 73.67 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.528 1.156 . . . . 0.0 108.134 170.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 1.3 mttt -80.72 -31.7 36.01 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.729 1.611 . . . . 0.0 109.821 -173.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.532 0 C-N-CA 124.155 0.982 . . . . 0.0 110.831 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.566 1.58 0 CA-C-O 122.096 0.95 . . . . 0.0 108.602 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -77.7 -15.33 59.22 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.397 1.079 . . . . 0.0 110.118 161.073 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' LEU . . . -63.52 -43.45 97.14 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 120.288 -1.507 . . . . 0.0 107.864 158.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -39.78 82.14 Favored 'General case' 0 CA--C 1.565 1.544 0 C-N-CA 124.722 1.209 . . . . 0.0 109.357 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -69.97 -38.62 76.14 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.428 1.109 . . . . 0.0 108.664 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -71.29 -30.83 66.73 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.131 1.773 . . . . 0.0 109.905 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -76.24 -35.71 58.86 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.405 1.082 . . . . 0.0 108.898 178.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.67 91.86 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.54 1.162 . . . . 0.0 107.882 164.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -58.58 -47.27 84.86 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 125.349 1.459 . . . . 0.0 109.032 -172.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 2.1 tppt? . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 122.393 1.092 . . . . 0.0 110.251 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 CA--C 1.567 1.632 0 CA-C-O 121.644 0.735 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.76 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -93.53 -23.93 18.16 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.472 1.509 . . . . 0.0 110.732 174.381 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.24 91.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 159.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tp -65.37 -42.77 92.38 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.448 175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -73.79 -26.85 60.83 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.17 1.388 . . . . 0.0 109.402 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.883 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -87.64 -26.25 23.12 Favored 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 126.193 1.797 . . . . 0.0 109.54 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.25 -49.75 70.64 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.803 1.287 . . . . 0.0 108.595 165.491 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -20.34 64.28 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 124.883 1.273 . . . . 0.0 108.826 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.883 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mptt -71.32 -55.76 7.36 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.822 1.296 . . . . 0.0 108.982 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp . . . . . 0 CA--C 1.563 1.46 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.237 -174.145 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt . . . . . 0 CA--C 1.566 1.582 0 CA-C-O 122.255 1.026 . . . . 0.0 108.377 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.75 -13.22 59.93 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.157 0.983 . . . . 0.0 110.197 159.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.01 92.43 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.413 -1.429 . . . . 0.0 107.71 157.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -68.31 -40.33 81.72 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.694 1.197 . . . . 0.0 109.457 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.71 -21.18 55.68 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.072 0.949 . . . . 0.0 109.064 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.789 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -84.76 -29.89 25.12 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 125.841 1.657 . . . . 0.0 109.715 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tp -72.9 -33.21 65.86 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.382 1.087 . . . . 0.0 108.668 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.15 29.16 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 125.507 1.523 . . . . 0.0 108.295 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.789 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 11.6 tttt -59.46 -45.53 91.37 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.567 1.547 . . . . 0.0 109.049 167.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.745 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 1.6 tttm . . . . . 0 CA--C 1.565 1.521 0 C-N-CA 124.616 1.166 . . . . 0.0 110.315 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.647 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -81.18 -14.71 57.29 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.018 0.927 . . . . 0.0 110.181 179.408 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -67.67 -42.13 82.62 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 158.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -31.1 71.35 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.837 1.255 . . . . 0.0 109.986 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.654 ' O ' ' HD2' ' A' ' 11' ' ' LYS . . . -79.52 -30.02 41.72 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 122.297 1.046 . . . . 0.0 108.887 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -73.71 -36.26 65.22 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 126.391 1.876 . . . . 0.0 109.184 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 5' ' ' ALA . 8.5 mp -84.65 -25.7 28.32 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 122.081 0.943 . . . . 0.0 109.012 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.82 95.74 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 124.825 1.25 . . . . 0.0 108.502 160.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.39 -48.51 72.61 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.855 1.662 . . . . 0.0 109.203 -174.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.565 1.542 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.198 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.506 2.331 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.66 25.83 11.26 Favored 'General case' 0 CA--C 1.564 1.504 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 166.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' H ' HG22 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -92.6 -43.33 9.18 Favored 'General case' 0 CA--C 1.565 1.527 0 O-C-N 121.27 -0.894 . . . . 0.0 109.326 168.458 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -77.0 -18.72 58.01 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 124.066 0.947 . . . . 0.0 109.96 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.83 91.35 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.805 -1.184 . . . . 0.0 108.079 158.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -36.37 83.96 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.071 1.348 . . . . 0.0 109.93 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.34 34.75 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 122.567 1.175 . . . . 0.0 109.041 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.744 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -66.21 -27.77 68.23 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.401 1.88 . . . . 0.0 110.005 170.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -53.99 7.71 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.566 1.174 . . . . 0.0 109.48 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' ' 13' ' ' ILE . . . -52.08 -33.39 39.15 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 123.077 1.418 . . . . 0.0 108.422 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -68.54 -42.34 78.59 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 126.445 1.898 . . . . 0.0 109.728 -173.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 12.54 7.04 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 124.876 1.27 . . . . 0.0 111.199 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 10' ' ' ALA . 2.1 mt -79.09 -33.48 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.694 0 O-C-N 121.052 -1.03 . . . . 0.0 108.847 169.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.1 tm? 117.13 -72.85 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 127.158 2.183 . . . . 0.0 111.027 166.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 118.158 -2.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.749 ' H3 ' ' H ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.512 2.654 0 CA-C-O 126.581 3.086 . . . . 0.0 107.605 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.678 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 3.7 m-20 83.68 -33.14 0.07 Allowed 'General case' 0 CA--C 1.565 1.53 0 CA-C-N 111.554 -2.567 . . . . 0.0 107.531 -170.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.89 -34.64 44.65 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 120.495 -1.378 . . . . 0.0 109.697 160.139 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' H ' ' H3 ' ' A' ' 1' ' ' ILE . 35.0 tttm -96.98 -20.59 17.97 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 123.755 0.822 . . . . 0.0 110.889 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 2' ' ' ASN . . . -70.52 -40.01 73.74 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.508 -1.37 . . . . 0.0 109.198 160.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HB3' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -66.2 -47.49 73.75 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 122.876 1.322 . . . . 0.0 108.811 177.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -63.95 -40.21 95.9 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.934 1.294 . . . . 0.0 108.717 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.23 79.85 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.685 1.594 . . . . 0.0 109.409 173.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.1 tp -72.15 -26.97 62.31 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 123.901 0.88 . . . . 0.0 109.739 176.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.688 ' HA ' HG12 ' A' ' 13' ' ' ILE . . . -67.06 -32.15 73.14 Favored 'General case' 0 CA--C 1.566 1.584 0 CA-C-O 122.929 1.347 . . . . 0.0 107.645 170.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -49.72 57.62 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 125.637 1.575 . . . . 0.0 108.984 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -86.12 -22.47 27.07 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.342 -171.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.688 HG12 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -56.15 -41.73 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt 74.0 47.78 0.15 Allowed 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 122.835 1.302 . . . . 0.0 111.744 166.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 O-C-N 118.114 -2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.777 HG22 ' H ' ' A' ' 3' ' ' LEU . 2.6 mm . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -122.62 60.49 1.01 Allowed 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 163.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.777 ' H ' HG22 ' A' ' 1' ' ' ILE . 2.3 mt -93.11 -45.88 7.69 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 122.105 0.955 . . . . 0.0 109.215 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.93 -19.8 22.07 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.967 0.907 . . . . 0.0 110.199 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.23 82.26 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.75 -1.219 . . . . 0.0 108.274 159.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -46.17 90.26 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.228 1.011 . . . . 0.0 109.009 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -72.04 -34.61 68.92 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-O 122.064 0.935 . . . . 0.0 108.944 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.93 90.63 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 125.508 1.523 . . . . 0.0 109.045 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 13' ' ' ILE . 8.3 tp -71.6 -24.07 61.83 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 124.252 1.021 . . . . 0.0 109.372 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.771 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -67.17 -43.09 83.11 Favored 'General case' 0 CA--C 1.566 1.588 0 C-N-CA 125.325 1.45 . . . . 0.0 108.163 166.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -40.81 95.66 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 125.36 1.464 . . . . 0.0 109.285 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -121.43 39.6 3.8 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 122.616 1.198 . . . . 0.0 109.651 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.771 HG13 ' HA ' ' A' ' 10' ' ' ALA . 4.0 mt -61.18 -53.88 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 168.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp 76.46 87.06 0.08 Allowed 'General case' 0 CA--C 1.579 2.08 0 CA-C-O 122.793 1.282 . . . . 0.0 111.492 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 118.22 -2.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.375 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 5.0 m-80 -85.54 3.01 42.48 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.943 0.897 . . . . 0.0 109.433 163.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.795 ' HB2' HG22 ' A' ' 1' ' ' ILE . 1.2 mt -77.27 -38.52 50.71 Favored 'General case' 0 CA--C 1.565 1.553 0 O-C-N 120.745 -1.222 . . . . 0.0 108.966 170.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 2.3 ttpm? -92.5 -20.01 21.41 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.602 1.161 . . . . 0.0 110.378 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 2' ' ' ASN . . . -67.05 -44.77 79.34 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 120.76 -1.213 . . . . 0.0 108.172 159.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -42.61 99.73 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.283 1.033 . . . . 0.0 109.078 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.07 -39.94 82.85 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 122.664 1.221 . . . . 0.0 108.512 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.15 79.83 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.899 1.68 . . . . 0.0 109.374 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.84 79.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 122.543 1.163 . . . . 0.0 108.381 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -54.74 -41.98 71.04 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.445 1.116 . . . . 0.0 108.1 175.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -68.59 -41.3 79.83 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 125.307 1.443 . . . . 0.0 109.376 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.67 26.76 7.6 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 122.348 1.07 . . . . 0.0 110.093 -175.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.553 HG13 ' HA ' ' A' ' 10' ' ' ALA . 2.1 mt -63.57 -57.02 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.677 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 170.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 38.64 -102.93 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.892 1.277 . . . . 0.0 111.757 -175.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 118.183 -2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.506 2.337 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.764 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 5.8 m-80 -142.77 53.64 1.4 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 167.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -37.04 20.08 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 125.543 1.537 . . . . 0.0 109.973 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.728 1.211 . . . . 0.0 110.532 162.027 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 2' ' ' ASN . . . -61.37 -51.94 66.69 Favored 'General case' 0 CA--C 1.566 1.583 0 O-C-N 120.841 -1.162 . . . . 0.0 109.221 162.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -30.61 71.63 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.867 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.37 -31.76 58.21 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.827 0.851 . . . . 0.0 108.994 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -78.76 -32.2 46.5 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 125.68 1.592 . . . . 0.0 109.711 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 5' ' ' ALA . 1.8 mm? -78.05 -18.44 55.8 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 109.394 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.33 -23.99 23.27 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 125.083 1.353 . . . . 0.0 108.138 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.12 -48.65 70.15 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 122.464 1.126 . . . . 0.0 108.924 174.61 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 1.031 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -92.19 -54.15 3.95 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.229 -173.574 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 13' ' ' ILE . 1.7 mp 68.17 38.88 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.993 0 CA-C-O 126.9 3.238 . . . . 0.0 105.962 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.031 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 3.4 tt -81.69 128.54 34.07 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-N 112.744 -2.026 . . . . 0.0 111.866 164.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 118.132 -2.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.297 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.891 ' CB ' ' HB3' ' A' ' 5' ' ' ALA . 22.1 m120 -58.59 -71.39 0.12 Allowed 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 167.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.861 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER 91.68 -56.43 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 125.572 1.549 . . . . 0.0 108.827 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 tppp? -93.54 -16.3 24.58 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.575 1.15 . . . . 0.0 110.514 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.891 ' HB3' ' CB ' ' A' ' 2' ' ' ASN . . . -65.71 -42.36 91.23 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 120.672 -1.268 . . . . 0.0 108.505 159.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.861 HD13 ' H ' ' A' ' 3' ' ' LEU . 2.2 mp -68.97 -42.34 76.73 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 122.168 0.985 . . . . 0.0 108.912 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.03 -43.45 78.71 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.283 1.04 . . . . 0.0 108.684 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.56 1.144 . . . . 0.0 109.226 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -70.22 -34.33 72.75 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.96 0.904 . . . . 0.0 109.225 177.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -56.05 -40.54 73.67 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.528 1.156 . . . . 0.0 108.134 170.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 1.3 mttt -80.72 -31.7 36.01 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.729 1.611 . . . . 0.0 109.821 -173.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -19.28 57.34 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 124.155 0.982 . . . . 0.0 110.831 175.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 9' ' ' LEU . 20.4 pt -96.1 28.18 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 108.653 160.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 37.6 39.2 0.18 Allowed 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 124.431 2.062 . . . . 0.0 112.394 162.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.099 0 O-C-N 117.305 -3.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.655 HG21 HD21 ' A' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.995 ' HB3' ' H ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.3 -60.45 2.27 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.638 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER 91.61 -43.14 0.02 OUTLIER 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 125.399 1.48 . . . . 0.0 108.602 -176.298 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -77.7 -15.33 59.22 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.397 1.079 . . . . 0.0 110.118 161.073 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.995 ' H ' ' HB3' ' A' ' 2' ' ' ASN . . . -63.52 -43.45 97.14 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 120.288 -1.507 . . . . 0.0 107.864 158.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -68.25 -39.78 82.14 Favored 'General case' 0 CA--C 1.565 1.544 0 C-N-CA 124.722 1.209 . . . . 0.0 109.357 -178.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -69.97 -38.62 76.14 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.428 1.109 . . . . 0.0 108.664 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -71.29 -30.83 66.73 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.131 1.773 . . . . 0.0 109.905 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -76.24 -35.71 58.86 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.405 1.082 . . . . 0.0 108.898 178.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.67 91.86 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.54 1.162 . . . . 0.0 107.882 164.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -58.58 -47.27 84.86 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 125.349 1.459 . . . . 0.0 109.032 -172.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 2.1 tppt? -92.05 -76.98 0.44 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 122.393 1.092 . . . . 0.0 110.251 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 9' ' ' LEU . 8.4 mm 85.8 31.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.654 0 C-N-CA 125.463 1.505 . . . . 0.0 107.789 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.34 -57.22 3.13 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-O 123.045 1.403 . . . . 0.0 111.77 163.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 O-C-N 117.949 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.282 0 CA-C-O 122.764 1.268 . . . . 0.0 107.676 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.752 ' CB ' ' HB3' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -76.8 -72.99 0.31 Allowed 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 158.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp 88.66 -38.97 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 125.513 1.525 . . . . 0.0 109.105 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.76 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -93.53 -23.93 18.16 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.472 1.509 . . . . 0.0 110.732 174.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.752 ' HB3' ' CB ' ' A' ' 2' ' ' ASN . . . -65.45 -43.24 91.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 159.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tp -65.37 -42.77 92.38 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.448 175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -73.79 -26.85 60.83 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.17 1.388 . . . . 0.0 109.402 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.883 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -87.64 -26.25 23.12 Favored 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 126.193 1.797 . . . . 0.0 109.54 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.25 -49.75 70.64 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.803 1.287 . . . . 0.0 108.595 165.491 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.783 ' HA ' HG12 ' A' ' 13' ' ' ILE . . . -62.35 -20.34 64.28 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 124.883 1.273 . . . . 0.0 108.826 173.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.883 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mptt -71.32 -55.76 7.36 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.822 1.296 . . . . 0.0 108.982 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -92.91 20.38 6.7 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.237 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.783 HG12 ' HA ' ' A' ' 10' ' ' ALA . 2.4 pt -85.97 -23.82 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 120.842 -1.161 . . . . 0.0 108.759 158.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER 81.46 -171.18 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.053 0 CA-C-O 122.753 1.263 . . . . 0.0 111.577 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 O-C-N 118.175 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 6' ' ' LEU . 1.8 mt . . . . . 0 N--CA 1.506 2.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.996 ' HB2' ' CB ' ' A' ' 5' ' ' ALA . 12.6 m-20 -54.67 -56.7 16.37 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt 92.28 -43.29 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.389 1.475 . . . . 0.0 108.377 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.75 -13.22 59.93 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.157 0.983 . . . . 0.0 110.197 159.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.996 ' CB ' ' HB2' ' A' ' 2' ' ' ASN . . . -64.46 -44.01 92.43 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.413 -1.429 . . . . 0.0 107.71 157.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -68.31 -40.33 81.72 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.694 1.197 . . . . 0.0 109.457 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.71 -21.18 55.68 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.072 0.949 . . . . 0.0 109.064 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.789 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -84.76 -29.89 25.12 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 125.841 1.657 . . . . 0.0 109.715 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.768 ' O ' HG13 ' A' ' 13' ' ' ILE . 2.8 tp -72.9 -33.21 65.86 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.382 1.087 . . . . 0.0 108.668 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -83.72 -27.15 29.16 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 125.507 1.523 . . . . 0.0 108.295 175.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.789 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 11.6 tttt -59.46 -45.53 91.37 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.567 1.547 . . . . 0.0 109.049 167.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.745 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 1.6 tttm -104.59 17.95 23.16 Favored 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 124.616 1.166 . . . . 0.0 110.315 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.768 HG13 ' O ' ' A' ' 9' ' ' LEU . 16.0 mt -76.41 -44.85 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 O-C-N 120.276 -1.515 . . . . 0.0 107.842 160.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER 179.08 151.82 0.34 Allowed 'General case' 0 CA--C 1.578 2.023 0 CA-C-O 122.818 1.294 . . . . 0.0 111.752 177.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.223 0 O-C-N 118.116 -2.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.505 2.312 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 0.9 OUTLIER -59.43 -37.66 78.66 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.712 1.205 . . . . 0.0 108.704 171.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.0 87.69 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.47 1.108 . . . . 0.0 109.824 -177.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -81.18 -14.71 57.29 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.018 0.927 . . . . 0.0 110.181 179.408 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 2' ' ' ASN . . . -67.67 -42.13 82.62 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 158.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -31.1 71.35 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.837 1.255 . . . . 0.0 109.986 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.654 ' O ' ' HD2' ' A' ' 11' ' ' LYS . . . -79.52 -30.02 41.72 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 122.297 1.046 . . . . 0.0 108.887 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -73.71 -36.26 65.22 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 126.391 1.876 . . . . 0.0 109.184 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 5' ' ' ALA . 8.5 mp -84.65 -25.7 28.32 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 122.081 0.943 . . . . 0.0 109.012 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.82 95.74 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 124.825 1.25 . . . . 0.0 108.502 160.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.39 -48.51 72.61 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.855 1.662 . . . . 0.0 109.203 -174.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.816 ' HG2' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -100.98 -75.7 0.58 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.198 -176.548 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.607 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER 85.23 20.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.609 0 C-N-CA 124.424 1.089 . . . . 0.0 108.133 168.684 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.816 ' H ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 173.14 113.7 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 125.001 1.32 . . . . 0.0 111.654 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 118.05 -2.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.565 1.527 0 CA-C-O 121.832 0.825 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -77.0 -18.72 58.01 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 124.066 0.947 . . . . 0.0 109.96 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.83 91.35 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.805 -1.184 . . . . 0.0 108.079 158.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -36.37 83.96 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.071 1.348 . . . . 0.0 109.93 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.34 34.75 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 122.567 1.175 . . . . 0.0 109.041 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.744 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -66.21 -27.77 68.23 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.401 1.88 . . . . 0.0 110.005 170.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -53.99 7.71 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.566 1.174 . . . . 0.0 109.48 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.08 -33.39 39.15 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 123.077 1.418 . . . . 0.0 108.422 164.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -68.54 -42.34 78.59 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 126.445 1.898 . . . . 0.0 109.728 -173.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.566 1.558 0 C-N-CA 124.876 1.27 . . . . 0.0 111.199 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.4 OUTLIER . . . . . 0 CA--C 1.566 1.577 0 CA-C-O 121.764 0.792 . . . . 0.0 109.697 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.499 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 35.0 tttm -96.98 -20.59 17.97 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 123.755 0.822 . . . . 0.0 110.889 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.52 -40.01 73.74 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.508 -1.37 . . . . 0.0 109.198 160.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -66.2 -47.49 73.75 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 122.876 1.322 . . . . 0.0 108.811 177.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -63.95 -40.21 95.9 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.934 1.294 . . . . 0.0 108.717 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.23 79.85 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.685 1.594 . . . . 0.0 109.409 173.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 tp -72.15 -26.97 62.31 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 123.901 0.88 . . . . 0.0 109.739 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.06 -32.15 73.14 Favored 'General case' 0 CA--C 1.566 1.584 0 CA-C-O 122.929 1.347 . . . . 0.0 107.645 170.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -49.72 57.62 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 125.637 1.575 . . . . 0.0 108.984 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 tttt . . . . . 0 CA--C 1.565 1.524 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.342 -171.825 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 CA--C 1.564 1.507 0 CA-C-O 122.105 0.955 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.93 -19.8 22.07 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.967 0.907 . . . . 0.0 110.199 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.23 82.26 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.75 -1.219 . . . . 0.0 108.274 159.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -46.17 90.26 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.228 1.011 . . . . 0.0 109.009 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -72.04 -34.61 68.92 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-O 122.064 0.935 . . . . 0.0 108.944 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.93 90.63 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 125.508 1.523 . . . . 0.0 109.045 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.3 tp -71.6 -24.07 61.83 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 124.252 1.021 . . . . 0.0 109.372 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -67.17 -43.09 83.11 Favored 'General case' 0 CA--C 1.566 1.588 0 C-N-CA 125.325 1.45 . . . . 0.0 108.163 166.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -40.81 95.66 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 125.36 1.464 . . . . 0.0 109.285 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp . . . . . 0 CA--C 1.563 1.468 0 CA-C-O 122.616 1.198 . . . . 0.0 109.651 -178.245 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 CA--C 1.565 1.553 0 CA-C-O 122.166 0.984 . . . . 0.0 108.966 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 2.3 ttpm? -92.5 -20.01 21.41 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.602 1.161 . . . . 0.0 110.378 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.77 79.34 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 120.76 -1.213 . . . . 0.0 108.172 159.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -42.61 99.73 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.283 1.033 . . . . 0.0 109.078 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.07 -39.94 82.85 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 122.664 1.221 . . . . 0.0 108.512 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.15 79.83 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.899 1.68 . . . . 0.0 109.374 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.84 79.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 122.543 1.163 . . . . 0.0 108.381 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.74 -41.98 71.04 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.445 1.116 . . . . 0.0 108.1 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -68.59 -41.3 79.83 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 125.307 1.443 . . . . 0.0 109.376 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.503 0 CA-C-O 122.348 1.07 . . . . 0.0 110.093 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.564 1.5 0 CA-C-O 122.323 1.058 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.728 1.211 . . . . 0.0 110.532 162.027 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.558 ' O ' HD23 ' A' ' 9' ' ' LEU . . . -61.37 -51.94 66.69 Favored 'General case' 0 CA--C 1.566 1.583 0 O-C-N 120.841 -1.162 . . . . 0.0 109.221 162.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -30.61 71.63 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.867 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.37 -31.76 58.21 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.827 0.851 . . . . 0.0 108.994 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -78.76 -32.2 46.5 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 125.68 1.592 . . . . 0.0 109.711 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 5' ' ' ALA . 1.8 mm? -78.05 -18.44 55.8 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 109.394 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.33 -23.99 23.27 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 125.083 1.353 . . . . 0.0 108.138 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.12 -48.65 70.15 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 122.464 1.126 . . . . 0.0 108.924 174.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.813 ' C ' ' HD3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.569 1.682 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.229 -173.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.462 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.567 1.604 0 CA-C-O 123.036 1.398 . . . . 0.0 108.827 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 tppp? -93.54 -16.3 24.58 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.575 1.15 . . . . 0.0 110.514 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -65.71 -42.36 91.23 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 120.672 -1.268 . . . . 0.0 108.505 159.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 3' ' ' LEU . 2.2 mp -68.97 -42.34 76.73 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 122.168 0.985 . . . . 0.0 108.912 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.03 -43.45 78.71 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.283 1.04 . . . . 0.0 108.684 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.56 1.144 . . . . 0.0 109.226 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -70.22 -34.33 72.75 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.96 0.904 . . . . 0.0 109.225 177.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -56.05 -40.54 73.67 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.528 1.156 . . . . 0.0 108.134 170.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 1.3 mttt -80.72 -31.7 36.01 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.729 1.611 . . . . 0.0 109.821 -173.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.565 1.532 0 C-N-CA 124.155 0.982 . . . . 0.0 110.831 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.566 1.58 0 CA-C-O 122.096 0.95 . . . . 0.0 108.602 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -77.7 -15.33 59.22 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.397 1.079 . . . . 0.0 110.118 161.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' LEU . . . -63.52 -43.45 97.14 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 120.288 -1.507 . . . . 0.0 107.864 158.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -39.78 82.14 Favored 'General case' 0 CA--C 1.565 1.544 0 C-N-CA 124.722 1.209 . . . . 0.0 109.357 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -69.97 -38.62 76.14 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.428 1.109 . . . . 0.0 108.664 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -71.29 -30.83 66.73 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.131 1.773 . . . . 0.0 109.905 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -76.24 -35.71 58.86 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.405 1.082 . . . . 0.0 108.898 178.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.67 91.86 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.54 1.162 . . . . 0.0 107.882 164.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -58.58 -47.27 84.86 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 125.349 1.459 . . . . 0.0 109.032 -172.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 2.1 tppt? . . . . . 0 CA--C 1.568 1.645 0 CA-C-O 122.393 1.092 . . . . 0.0 110.251 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 CA--C 1.567 1.632 0 CA-C-O 121.644 0.735 . . . . 0.0 109.105 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.76 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -93.53 -23.93 18.16 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.472 1.509 . . . . 0.0 110.732 174.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.45 -43.24 91.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 159.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tp -65.37 -42.77 92.38 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.448 175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -73.79 -26.85 60.83 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.17 1.388 . . . . 0.0 109.402 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.883 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -87.64 -26.25 23.12 Favored 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 126.193 1.797 . . . . 0.0 109.54 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.25 -49.75 70.64 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.803 1.287 . . . . 0.0 108.595 165.491 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.35 -20.34 64.28 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 124.883 1.273 . . . . 0.0 108.826 173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.883 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mptt -71.32 -55.76 7.36 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.822 1.296 . . . . 0.0 108.982 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp . . . . . 0 CA--C 1.563 1.46 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.237 -174.145 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt . . . . . 0 CA--C 1.566 1.582 0 CA-C-O 122.255 1.026 . . . . 0.0 108.377 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.75 -13.22 59.93 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.157 0.983 . . . . 0.0 110.197 159.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.01 92.43 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.413 -1.429 . . . . 0.0 107.71 157.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -68.31 -40.33 81.72 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.694 1.197 . . . . 0.0 109.457 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.71 -21.18 55.68 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.072 0.949 . . . . 0.0 109.064 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.789 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -84.76 -29.89 25.12 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 125.841 1.657 . . . . 0.0 109.715 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tp -72.9 -33.21 65.86 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.382 1.087 . . . . 0.0 108.668 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.72 -27.15 29.16 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 125.507 1.523 . . . . 0.0 108.295 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.789 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 11.6 tttt -59.46 -45.53 91.37 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.567 1.547 . . . . 0.0 109.049 167.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.745 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 1.6 tttm . . . . . 0 CA--C 1.565 1.521 0 C-N-CA 124.616 1.166 . . . . 0.0 110.315 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.568 1.647 0 CA-C-O 121.731 0.777 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -81.18 -14.71 57.29 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.018 0.927 . . . . 0.0 110.181 179.408 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 9' ' ' LEU . . . -67.67 -42.13 82.62 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 158.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -31.1 71.35 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.837 1.255 . . . . 0.0 109.986 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.654 ' O ' ' HD2' ' A' ' 11' ' ' LYS . . . -79.52 -30.02 41.72 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 122.297 1.046 . . . . 0.0 108.887 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -73.71 -36.26 65.22 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 126.391 1.876 . . . . 0.0 109.184 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 5' ' ' ALA . 8.5 mp -84.65 -25.7 28.32 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 122.081 0.943 . . . . 0.0 109.012 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.82 95.74 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 124.825 1.25 . . . . 0.0 108.502 160.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.39 -48.51 72.61 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.855 1.662 . . . . 0.0 109.203 -174.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.565 1.542 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.198 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.468 HG22 ' H ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.506 2.331 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.66 25.83 11.26 Favored 'General case' 0 CA--C 1.564 1.504 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 166.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.468 ' H ' HG22 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -92.6 -43.33 9.18 Favored 'General case' 0 CA--C 1.565 1.527 0 O-C-N 121.27 -0.894 . . . . 0.0 109.326 168.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.1 tttp -77.0 -18.72 58.01 Favored 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 124.066 0.947 . . . . 0.0 109.96 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.82 -41.83 91.35 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.805 -1.184 . . . . 0.0 108.079 158.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -36.37 83.96 Favored 'General case' 0 CA--C 1.566 1.59 0 C-N-CA 125.071 1.348 . . . . 0.0 109.93 179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.34 34.75 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 122.567 1.175 . . . . 0.0 109.041 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.744 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -66.21 -27.77 68.23 Favored 'General case' 0 CA--C 1.567 1.62 0 C-N-CA 126.401 1.88 . . . . 0.0 110.005 170.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -53.99 7.71 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.566 1.174 . . . . 0.0 109.48 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.656 ' O ' HG13 ' A' ' 13' ' ' ILE . . . -52.08 -33.39 39.15 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-O 123.077 1.418 . . . . 0.0 108.422 164.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.744 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -68.54 -42.34 78.59 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 126.445 1.898 . . . . 0.0 109.728 -173.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.71 12.54 7.04 Favored 'General case' 0 CA--C 1.566 1.558 0 C-N-CA 124.876 1.27 . . . . 0.0 111.199 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.656 HG13 ' O ' ' A' ' 10' ' ' ALA . 2.1 mt -79.09 -33.48 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.694 0 O-C-N 121.052 -1.03 . . . . 0.0 108.847 169.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 1.1 tm? 117.13 -72.85 0.0 OUTLIER 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 127.158 2.183 . . . . 0.0 111.027 166.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 O-C-N 118.158 -2.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.749 ' H3 ' ' H ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.512 2.654 0 CA-C-O 126.581 3.086 . . . . 0.0 107.605 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.678 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 3.7 m-20 83.68 -33.14 0.07 Allowed 'General case' 0 CA--C 1.565 1.53 0 CA-C-N 111.554 -2.567 . . . . 0.0 107.531 -170.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.89 -34.64 44.65 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 120.495 -1.378 . . . . 0.0 109.697 160.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.749 ' H ' ' H3 ' ' A' ' 1' ' ' ILE . 35.0 tttm -96.98 -20.59 17.97 Favored 'General case' 0 CA--C 1.564 1.513 0 C-N-CA 123.755 0.822 . . . . 0.0 110.889 -178.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' A' ' 2' ' ' ASN . . . -70.52 -40.01 73.74 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.508 -1.37 . . . . 0.0 109.198 160.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.632 ' HB3' ' O ' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -66.2 -47.49 73.75 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-O 122.876 1.322 . . . . 0.0 108.811 177.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -63.95 -40.21 95.9 Favored 'General case' 0 CA--C 1.565 1.547 0 C-N-CA 124.934 1.294 . . . . 0.0 108.717 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.29 -35.23 79.85 Favored 'General case' 0 CA--C 1.565 1.535 0 C-N-CA 125.685 1.594 . . . . 0.0 109.409 173.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 ' O ' HG23 ' A' ' 13' ' ' ILE . 4.1 tp -72.15 -26.97 62.31 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 123.901 0.88 . . . . 0.0 109.739 176.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.688 ' HA ' HG12 ' A' ' 13' ' ' ILE . . . -67.06 -32.15 73.14 Favored 'General case' 0 CA--C 1.566 1.584 0 CA-C-O 122.929 1.347 . . . . 0.0 107.645 170.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -49.72 57.62 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 125.637 1.575 . . . . 0.0 108.984 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -86.12 -22.47 27.07 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-N 114.771 -1.104 . . . . 0.0 112.342 -171.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.688 HG12 ' HA ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -56.15 -41.73 70.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.1 mt 74.0 47.78 0.15 Allowed 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 122.835 1.302 . . . . 0.0 111.744 166.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 O-C-N 118.114 -2.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.777 HG22 ' H ' ' A' ' 3' ' ' LEU . 2.6 mm . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -122.62 60.49 1.01 Allowed 'General case' 0 CA--C 1.563 1.474 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 163.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.777 ' H ' HG22 ' A' ' 1' ' ' ILE . 2.3 mt -93.11 -45.88 7.69 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 122.105 0.955 . . . . 0.0 109.215 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -91.93 -19.8 22.07 Favored 'General case' 0 CA--C 1.564 1.498 0 C-N-CA 123.967 0.907 . . . . 0.0 110.199 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.23 82.26 Favored 'General case' 0 CA--C 1.566 1.584 0 O-C-N 120.75 -1.219 . . . . 0.0 108.274 159.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.11 -46.17 90.26 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 124.228 1.011 . . . . 0.0 109.009 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -72.04 -34.61 68.92 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-O 122.064 0.935 . . . . 0.0 108.944 -176.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -38.93 90.63 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 125.508 1.523 . . . . 0.0 109.045 171.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 13' ' ' ILE . 8.3 tp -71.6 -24.07 61.83 Favored 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 124.252 1.021 . . . . 0.0 109.372 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.771 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -67.17 -43.09 83.11 Favored 'General case' 0 CA--C 1.566 1.588 0 C-N-CA 125.325 1.45 . . . . 0.0 108.163 166.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -40.81 95.66 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 125.36 1.464 . . . . 0.0 109.285 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -121.43 39.6 3.8 Favored 'General case' 0 CA--C 1.563 1.468 0 CA-C-O 122.616 1.198 . . . . 0.0 109.651 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.771 HG13 ' HA ' ' A' ' 10' ' ' ALA . 4.0 mt -61.18 -53.88 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 168.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tp 76.46 87.06 0.08 Allowed 'General case' 0 CA--C 1.579 2.08 0 CA-C-O 122.793 1.282 . . . . 0.0 111.492 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 118.22 -2.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.795 HG22 ' HB2' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.375 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 5.0 m-80 -85.54 3.01 42.48 Favored 'General case' 0 CA--C 1.565 1.537 0 C-N-CA 123.943 0.897 . . . . 0.0 109.433 163.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.795 ' HB2' HG22 ' A' ' 1' ' ' ILE . 1.2 mt -77.27 -38.52 50.71 Favored 'General case' 0 CA--C 1.565 1.553 0 O-C-N 120.745 -1.222 . . . . 0.0 108.966 170.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.575 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 2.3 ttpm? -92.5 -20.01 21.41 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.602 1.161 . . . . 0.0 110.378 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB3' ' HA ' ' A' ' 2' ' ' ASN . . . -67.05 -44.77 79.34 Favored 'General case' 0 CA--C 1.565 1.522 0 O-C-N 120.76 -1.213 . . . . 0.0 108.172 159.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -42.61 99.73 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 124.283 1.033 . . . . 0.0 109.078 176.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.07 -39.94 82.85 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-O 122.664 1.221 . . . . 0.0 108.512 -176.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.16 -35.15 79.83 Favored 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.899 1.68 . . . . 0.0 109.374 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -46.84 79.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 122.543 1.163 . . . . 0.0 108.381 176.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -54.74 -41.98 71.04 Favored 'General case' 0 CA--C 1.565 1.527 0 CA-C-O 122.445 1.116 . . . . 0.0 108.1 175.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -68.59 -41.3 79.83 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 125.307 1.443 . . . . 0.0 109.376 -176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.67 26.76 7.6 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 122.348 1.07 . . . . 0.0 110.093 -175.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.553 HG13 ' HA ' ' A' ' 10' ' ' ALA . 2.1 mt -63.57 -57.02 13.62 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.677 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 170.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 38.64 -102.93 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.099 0 C-N-CA 124.892 1.277 . . . . 0.0 111.757 -175.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 118.183 -2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.506 2.337 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.764 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 5.8 m-80 -142.77 53.64 1.4 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 167.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.54 -37.04 20.08 Favored 'General case' 0 CA--C 1.564 1.5 0 C-N-CA 125.543 1.537 . . . . 0.0 109.973 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -61.12 -23.35 65.45 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 124.728 1.211 . . . . 0.0 110.532 162.027 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.764 ' HB3' ' O ' ' A' ' 2' ' ' ASN . . . -61.37 -51.94 66.69 Favored 'General case' 0 CA--C 1.566 1.583 0 O-C-N 120.841 -1.162 . . . . 0.0 109.221 162.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.75 -30.61 71.63 Favored 'General case' 0 CA--C 1.565 1.548 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.867 179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.37 -31.76 58.21 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 123.827 0.851 . . . . 0.0 108.994 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 11' ' ' LYS . . . -78.76 -32.2 46.5 Favored 'General case' 0 CA--C 1.567 1.623 0 C-N-CA 125.68 1.592 . . . . 0.0 109.711 176.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 5' ' ' ALA . 1.8 mm? -78.05 -18.44 55.8 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 125.097 1.359 . . . . 0.0 109.394 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.33 -23.99 23.27 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 125.083 1.353 . . . . 0.0 108.138 169.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -66.12 -48.65 70.15 Favored 'General case' 0 CA--C 1.564 1.513 0 CA-C-O 122.464 1.126 . . . . 0.0 108.924 174.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 1.031 ' HD2' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -92.19 -54.15 3.95 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.229 -173.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 13' ' ' ILE . 1.7 mp 68.17 38.88 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.577 1.993 0 CA-C-O 126.9 3.238 . . . . 0.0 105.962 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.031 ' HB2' ' HD2' ' A' ' 12' ' ' LYS . 3.4 tt -81.69 128.54 34.07 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-N 112.744 -2.026 . . . . 0.0 111.866 164.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 O-C-N 118.132 -2.855 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.738 HD12 ' N ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.297 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.891 ' CB ' ' HB3' ' A' ' 5' ' ' ALA . 22.1 m120 -58.59 -71.39 0.12 Allowed 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 167.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.861 ' H ' HD13 ' A' ' 6' ' ' LEU . 0.1 OUTLIER 91.68 -56.43 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.604 0 C-N-CA 125.572 1.549 . . . . 0.0 108.827 179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 1.3 tppp? -93.54 -16.3 24.58 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 124.575 1.15 . . . . 0.0 110.514 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.891 ' HB3' ' CB ' ' A' ' 2' ' ' ASN . . . -65.71 -42.36 91.23 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 120.672 -1.268 . . . . 0.0 108.505 159.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.861 HD13 ' H ' ' A' ' 3' ' ' LEU . 2.2 mp -68.97 -42.34 76.73 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 122.168 0.985 . . . . 0.0 108.912 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -68.03 -43.45 78.71 Favored 'General case' 0 CA--C 1.565 1.552 0 CA-C-O 122.283 1.04 . . . . 0.0 108.684 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.52 -36.5 83.98 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.56 1.144 . . . . 0.0 109.226 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -70.22 -34.33 72.75 Favored 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 123.96 0.904 . . . . 0.0 109.225 177.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -56.05 -40.54 73.67 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.528 1.156 . . . . 0.0 108.134 170.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 1.3 mttt -80.72 -31.7 36.01 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.729 1.611 . . . . 0.0 109.821 -173.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.05 -19.28 57.34 Favored 'General case' 0 CA--C 1.565 1.532 0 C-N-CA 124.155 0.982 . . . . 0.0 110.831 175.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 9' ' ' LEU . 20.4 pt -96.1 28.18 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.643 0 O-C-N 120.823 -1.173 . . . . 0.0 108.653 160.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 37.6 39.2 0.18 Allowed 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 124.431 2.062 . . . . 0.0 112.394 162.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.099 0 O-C-N 117.305 -3.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.655 HG21 HD21 ' A' ' 6' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.995 ' HB3' ' H ' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -70.3 -60.45 2.27 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 174.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' O ' HD22 ' A' ' 3' ' ' LEU . 0.0 OUTLIER 91.61 -43.14 0.02 OUTLIER 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 125.399 1.48 . . . . 0.0 108.602 -176.298 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -77.7 -15.33 59.22 Favored 'General case' 0 CA--C 1.562 1.433 0 C-N-CA 124.397 1.079 . . . . 0.0 110.118 161.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.995 ' H ' ' HB3' ' A' ' 2' ' ' ASN . . . -63.52 -43.45 97.14 Favored 'General case' 0 CA--C 1.569 1.681 0 O-C-N 120.288 -1.507 . . . . 0.0 107.864 158.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.655 HD21 HG21 ' A' ' 1' ' ' ILE . 0.2 OUTLIER -68.25 -39.78 82.14 Favored 'General case' 0 CA--C 1.565 1.544 0 C-N-CA 124.722 1.209 . . . . 0.0 109.357 -178.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.477 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -69.97 -38.62 76.14 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-O 122.428 1.109 . . . . 0.0 108.664 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -71.29 -30.83 66.73 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.131 1.773 . . . . 0.0 109.905 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -76.24 -35.71 58.86 Favored 'General case' 0 CA--C 1.564 1.512 0 C-N-CA 124.405 1.082 . . . . 0.0 108.898 178.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.67 91.86 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-O 122.54 1.162 . . . . 0.0 107.882 164.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -58.58 -47.27 84.86 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 125.349 1.459 . . . . 0.0 109.032 -172.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.495 ' HD3' ' HA ' ' A' ' 12' ' ' LYS . 2.1 tppt? -92.05 -76.98 0.44 Allowed 'General case' 0 CA--C 1.568 1.645 0 CA-C-O 122.393 1.092 . . . . 0.0 110.251 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 9' ' ' LEU . 8.4 mm 85.8 31.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.568 1.654 0 C-N-CA 125.463 1.505 . . . . 0.0 107.789 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.34 -57.22 3.13 Favored 'General case' 0 CA--C 1.576 1.977 0 CA-C-O 123.045 1.403 . . . . 0.0 111.77 163.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.237 0 O-C-N 117.949 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.505 2.282 0 CA-C-O 122.764 1.268 . . . . 0.0 107.676 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.752 ' CB ' ' HB3' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -76.8 -72.99 0.31 Allowed 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 106.399 -1.704 . . . . 0.0 106.399 158.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 tp 88.66 -38.97 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.632 0 C-N-CA 125.513 1.525 . . . . 0.0 109.105 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.76 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -93.53 -23.93 18.16 Favored 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 125.472 1.509 . . . . 0.0 110.732 174.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.752 ' HB3' ' CB ' ' A' ' 2' ' ' ASN . . . -65.45 -43.24 91.01 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 159.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.478 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tp -65.37 -42.77 92.38 Favored 'General case' 0 CA--C 1.567 1.597 0 C-N-CA 125.515 1.526 . . . . 0.0 109.448 175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.76 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -73.79 -26.85 60.83 Favored 'General case' 0 CA--C 1.566 1.564 0 C-N-CA 125.17 1.388 . . . . 0.0 109.402 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.883 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -87.64 -26.25 23.12 Favored 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 126.193 1.797 . . . . 0.0 109.54 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -64.25 -49.75 70.64 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 122.803 1.287 . . . . 0.0 108.595 165.491 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.783 ' HA ' HG12 ' A' ' 13' ' ' ILE . . . -62.35 -20.34 64.28 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 124.883 1.273 . . . . 0.0 108.826 173.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.883 ' HB2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 mptt -71.32 -55.76 7.36 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 122.822 1.296 . . . . 0.0 108.982 174.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -92.91 20.38 6.7 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.237 -174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.783 HG12 ' HA ' ' A' ' 10' ' ' ALA . 2.4 pt -85.97 -23.82 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.63 0 O-C-N 120.842 -1.161 . . . . 0.0 108.759 158.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.601 ' HB2' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER 81.46 -171.18 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.053 0 CA-C-O 122.753 1.263 . . . . 0.0 111.577 179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 O-C-N 118.175 -2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.495 HG21 HD21 ' A' ' 6' ' ' LEU . 1.8 mt . . . . . 0 N--CA 1.506 2.335 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.996 ' HB2' ' CB ' ' A' ' 5' ' ' ALA . 12.6 m-20 -54.67 -56.7 16.37 Favored 'General case' 0 CA--C 1.567 1.603 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.541 ' HA ' HD23 ' A' ' 6' ' ' LEU . 4.5 tt 92.28 -43.29 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.582 0 C-N-CA 125.389 1.475 . . . . 0.0 108.377 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -78.75 -13.22 59.93 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.157 0.983 . . . . 0.0 110.197 159.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.996 ' CB ' ' HB2' ' A' ' 2' ' ' ASN . . . -64.46 -44.01 92.43 Favored 'General case' 0 CA--C 1.568 1.658 0 O-C-N 120.413 -1.429 . . . . 0.0 107.71 157.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -68.31 -40.33 81.72 Favored 'General case' 0 CA--C 1.565 1.549 0 C-N-CA 124.694 1.197 . . . . 0.0 109.457 -178.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 4' ' ' LYS . . . -76.71 -21.18 55.68 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.072 0.949 . . . . 0.0 109.064 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.789 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . . . -84.76 -29.89 25.12 Favored 'General case' 0 CA--C 1.566 1.575 0 C-N-CA 125.841 1.657 . . . . 0.0 109.715 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.768 ' O ' HG13 ' A' ' 13' ' ' ILE . 2.8 tp -72.9 -33.21 65.86 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-O 122.382 1.087 . . . . 0.0 108.668 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HA ' HG13 ' A' ' 13' ' ' ILE . . . -83.72 -27.15 29.16 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 125.507 1.523 . . . . 0.0 108.295 175.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.789 ' HB3' ' HA ' ' A' ' 8' ' ' ALA . 11.6 tttt -59.46 -45.53 91.37 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.567 1.547 . . . . 0.0 109.049 167.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.745 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 1.6 tttm -104.59 17.95 23.16 Favored 'General case' 0 CA--C 1.565 1.521 0 C-N-CA 124.616 1.166 . . . . 0.0 110.315 -177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.768 HG13 ' O ' ' A' ' 9' ' ' LEU . 16.0 mt -76.41 -44.85 35.14 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.583 0 O-C-N 120.276 -1.515 . . . . 0.0 107.842 160.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER 179.08 151.82 0.34 Allowed 'General case' 0 CA--C 1.578 2.023 0 CA-C-O 122.818 1.294 . . . . 0.0 111.752 177.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.223 0 O-C-N 118.116 -2.865 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 N--CA 1.505 2.312 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' A' ' 5' ' ' ALA . 0.9 OUTLIER -59.43 -37.66 78.66 Favored 'General case' 0 CA--C 1.565 1.556 0 C-N-CA 124.712 1.205 . . . . 0.0 108.704 171.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -39.0 87.69 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.47 1.108 . . . . 0.0 109.824 -177.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -81.18 -14.71 57.29 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.018 0.927 . . . . 0.0 110.181 179.408 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 2' ' ' ASN . . . -67.67 -42.13 82.62 Favored 'General case' 0 CA--C 1.568 1.665 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 158.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -31.1 71.35 Favored 'General case' 0 CA--C 1.566 1.565 0 C-N-CA 124.837 1.255 . . . . 0.0 109.986 175.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.654 ' O ' ' HD2' ' A' ' 11' ' ' LYS . . . -79.52 -30.02 41.72 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-O 122.297 1.046 . . . . 0.0 108.887 177.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . . . -73.71 -36.26 65.22 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 126.391 1.876 . . . . 0.0 109.184 -179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' O ' ' A' ' 5' ' ' ALA . 8.5 mp -84.65 -25.7 28.32 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 122.081 0.943 . . . . 0.0 109.012 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.82 95.74 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 124.825 1.25 . . . . 0.0 108.502 160.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -65.39 -48.51 72.61 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 125.855 1.662 . . . . 0.0 109.203 -174.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.816 ' HG2' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -100.98 -75.7 0.58 Allowed 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.198 -176.548 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.607 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 0.9 OUTLIER 85.23 20.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.609 0 C-N-CA 124.424 1.089 . . . . 0.0 108.133 168.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.816 ' H ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER 173.14 113.7 0.02 OUTLIER 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 125.001 1.32 . . . . 0.0 111.654 173.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 O-C-N 118.05 -2.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_