data_1hr1_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 1hr1 _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 ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.47 0.652 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -4.86 19.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -48.48 9.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.0 109.709 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.22 -25.87 10.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 110.229 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.1 t-105 -51.02 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.2 t90 -42.87 -25.04 0.08 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.87 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -31.2 71.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.975 -1.078 . . . . 0.0 109.694 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.75 -46.01 59.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.764 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.4 mtm105 -47.1 -38.42 11.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.707 -0.62 . . . . 0.0 110.221 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 110.229 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 121.308 0.575 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -76.01 0.52 18.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 -50.38 6.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.4 -0.812 . . . . 0.0 109.683 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.62 4.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.9 t-105 -60.42 -86.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.591 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.8 t90 -41.65 -25.9 0.06 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.778 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -33.71 76.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 109.733 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.81 -45.25 71.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.455 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.2 mtp-105 -46.56 -28.18 1.35 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.285 0.564 . . . . 0.0 110.235 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 110.231 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.457 0.646 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -5.12 22.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.758 . . . . 0.0 109.816 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -47.12 11.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 0.0 109.694 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.86 -24.52 9.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 0.0 110.117 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 15.6 t-105 -49.42 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.219 -0.926 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.609 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.7 t90 -46.48 -23.57 0.4 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 0.0 110.843 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.04 -58.6 3.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.069 -1.02 . . . . 0.0 109.908 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -49.07 -45.45 43.02 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.593 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.1 mtp-105 -37.46 -38.1 0.23 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.256 0.551 . . . . 0.0 110.595 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.5 ttp-105 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.482 0.658 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -69.75 -4.43 19.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.467 -0.771 . . . . 0.0 109.722 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -49.14 8.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.392 -0.818 . . . . 0.0 109.613 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.12 5.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -50.02 -84.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.313 -0.867 . . . . 0.0 110.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.593 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -45.11 -23.72 0.18 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.631 -0.668 . . . . 0.0 110.825 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -61.92 1.77 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.03 -1.044 . . . . 0.0 109.827 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -46.39 -45.19 17.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.62 179.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 16.4 mtp-105 -37.95 -36.64 0.21 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.363 0.601 . . . . 0.0 110.524 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.261 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.481 0.658 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -69.73 -4.83 21.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.466 -0.771 . . . . 0.0 109.721 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -48.04 9.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.365 -0.834 . . . . 0.0 109.667 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.3 -26.11 11.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.1 t-105 -59.01 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.399 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.595 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.1 t90 -41.75 -25.74 0.06 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.688 -0.633 . . . . 0.0 110.883 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -65.63 -33.24 75.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -70.52 -45.59 65.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.325 -0.859 . . . . 0.0 109.656 179.42 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 25.8 mtp-105 -47.26 -27.02 1.37 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.761 -0.587 . . . . 0.0 110.213 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.473 0.654 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -4.63 19.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -46.64 11.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.325 -0.859 . . . . 0.0 109.594 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' TRP . . . -53.73 -28.45 34.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -43.42 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.0 110.07 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.4 t90 -42.98 -25.71 0.11 Allowed 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.579 -178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.99 -32.84 74.35 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.044 -1.035 . . . . 0.0 109.738 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.625 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -69.3 -45.61 69.18 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.868 0.842 . . . . 0.0 109.454 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.6 mtp-105 -47.05 -26.56 1.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.301 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 110.15 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.093 0.473 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 4.7 12.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.092 -1.005 . . . . 0.0 110.24 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -49.98 6.0 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.67 4.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.157 -0.965 . . . . 0.0 110.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.59 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 17.7 t-105 -52.87 -83.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.59 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -47.86 -21.68 0.45 Allowed 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.629 -0.67 . . . . 0.0 110.827 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -77.89 -61.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.992 -1.067 . . . . 0.0 110.007 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -45.78 -44.17 13.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.625 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.6 mtm105 -40.53 -35.08 0.41 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.44 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 110.166 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.443 0.64 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -68.99 -5.14 19.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.447 -0.783 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -47.7 11.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.97 10.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 110.11 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.9 t-105 -61.16 -84.64 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.333 -0.855 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.592 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.1 t90 -42.39 -25.77 0.09 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.629 -0.669 . . . . 0.0 110.729 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.35 -31.25 71.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.023 -1.048 . . . . 0.0 109.709 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.618 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.82 -45.59 60.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 179.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.0 mtm105 -48.32 -27.8 2.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.678 -0.639 . . . . 0.0 110.168 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HD2' ' CH2' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.112 0.482 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 3.93 12.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.006 -1.059 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -49.27 6.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 110.278 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.75 -21.99 4.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.075 -1.016 . . . . 0.0 110.233 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.0 t-105 -55.09 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 61.4 t90 -41.98 -26.03 0.08 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.679 -0.638 . . . . 0.0 110.818 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.97 -33.41 75.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.771 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.62 -43.56 76.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.57 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.2 mtm105 -50.87 -38.71 51.08 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.307 0.575 . . . . 0.0 110.144 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.498 0.666 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -70.03 -4.29 20.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.764 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -49.73 8.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.338 -0.851 . . . . 0.0 109.443 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' TRP . . . -49.59 -29.21 6.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.435 -0.79 . . . . 0.0 110.145 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 15.4 t-105 -44.21 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 110.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.584 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.0 t90 -45.95 -23.16 0.26 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.596 -0.69 . . . . 0.0 110.843 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.22 -62.3 1.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.08 -1.013 . . . . 0.0 109.875 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.66 -45.23 13.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.554 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.627 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 26.7 mtp-105 -37.45 -38.77 0.26 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 0.0 110.223 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 121.446 0.641 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.63 -0.74 24.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.604 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -49.22 6.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.405 -0.809 . . . . 0.0 109.608 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.37 -24.88 3.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.242 -0.911 . . . . 0.0 109.814 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 27.7 t-105 -65.12 -86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -0.844 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.4 t90 -42.25 -25.77 0.08 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.642 -0.661 . . . . 0.0 110.685 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.93 -31.78 72.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.024 -1.047 . . . . 0.0 109.791 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.633 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.49 -45.8 61.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.916 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 22.7 mtm105 -46.36 -52.1 13.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.796 -0.565 . . . . 0.0 110.378 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' NH2' ' HB3' ' A' ' 13' ' ' ARG . 3.1 ttp-105 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.294 -0.879 . . . . 0.0 110.114 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 121.357 0.598 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -76.14 0.39 19.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.632 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -49.53 6.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.729 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.88 -26.89 6.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.29 -0.881 . . . . 0.0 110.03 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.8 t-105 -60.19 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.579 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.5 t90 -42.27 -25.82 0.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.784 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.25 -31.96 72.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.997 -1.065 . . . . 0.0 109.787 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.631 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -70.21 -45.45 66.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.866 . . . . 0.0 109.604 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.2 mtm105 -46.84 -34.07 5.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.845 -0.534 . . . . 0.0 110.228 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttp85 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.928 . . . . 0.0 110.156 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.368 0.604 . . . . 0.0 109.761 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -69.33 -5.12 21.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.432 -0.792 . . . . 0.0 109.733 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -47.49 10.86 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.332 -0.855 . . . . 0.0 109.796 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -22.08 12.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.825 . . . . 0.0 110.388 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 24.8 t-105 -68.1 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.7 t90 -42.93 -25.12 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.894 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.0 -32.02 72.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.004 -1.06 . . . . 0.0 109.728 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.04 -45.79 63.22 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.34 -0.85 . . . . 0.0 109.735 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.6 mtm105 -47.29 -28.31 1.92 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.774 -0.579 . . . . 0.0 110.187 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.176 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 121.395 0.617 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 0.14 20.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.709 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -49.36 6.53 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.364 -0.835 . . . . 0.0 109.748 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 -22.81 1.87 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.259 -0.901 . . . . 0.0 110.099 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 16.2 t-105 -53.89 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.5 t90 -47.54 -22.59 0.49 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.49 -0.756 . . . . 0.0 110.731 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.48 -63.17 1.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.97 . . . . 0.0 110.012 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -44.07 -44.13 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 0.0 109.61 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.9 mtm105 -42.27 -33.02 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.364 0.602 . . . . 0.0 110.097 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.215 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.4 0.619 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -5.12 18.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -48.34 9.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.0 109.653 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.28 -31.34 53.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 13.9 t-105 -51.98 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 0.0 110.012 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.588 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 58.4 t90 -47.33 -22.11 0.38 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.593 -0.692 . . . . 0.0 110.894 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.56 -62.74 1.47 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.073 -1.017 . . . . 0.0 110.009 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -46.68 -44.23 18.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.694 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.1 mtp-105 -38.54 -43.9 0.9 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.501 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.296 0.57 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 4.3 mt -86.33 94.0 9.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 167.55 140.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.271 -0.893 . . . . 0.0 109.867 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.33 -60.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.432 -0.793 . . . . 0.0 109.592 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -4.86 19.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -48.48 9.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.0 109.709 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.22 -25.87 10.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 110.229 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.1 t-105 -51.02 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.2 t90 -42.87 -25.04 0.08 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.87 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -31.2 71.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.975 -1.078 . . . . 0.0 109.694 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.75 -46.01 59.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.764 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.4 mtm105 -47.1 -38.42 11.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.707 -0.62 . . . . 0.0 110.221 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -66.81 0.46 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 110.229 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 3.4 mt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.285 0.564 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -73.63 147.44 43.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.302 -0.874 . . . . 0.0 110.101 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' A' ' 4' ' ' TRP . . . 168.12 137.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.531 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 75.36 -51.13 0.65 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.369 -0.832 . . . . 0.0 109.841 -179.343 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -76.01 0.52 18.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.533 ' CD1' HD13 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.38 -50.38 6.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.4 -0.812 . . . . 0.0 109.683 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.62 4.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.9 t-105 -60.42 -86.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.591 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.8 t90 -41.65 -25.9 0.06 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.778 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -33.71 76.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 109.733 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.81 -45.25 71.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.455 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.2 mtp-105 -46.56 -28.18 1.35 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.285 0.564 . . . . 0.0 110.235 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.97 -64.83 1.05 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 110.231 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.415 HD13 HG22 ' A' ' 1' ' ' ILE . 58.2 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.338 0.59 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -126.79 100.49 6.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.263 -0.898 . . . . 0.0 110.092 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 168.16 141.81 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.923 . . . . 0.0 109.747 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 172.56 -60.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.403 -0.811 . . . . 0.0 109.692 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -5.12 22.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.758 . . . . 0.0 109.816 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -47.12 11.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 0.0 109.694 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.86 -24.52 9.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 0.0 110.117 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 15.6 t-105 -49.42 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.219 -0.926 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.609 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.7 t90 -46.48 -23.57 0.4 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 0.0 110.843 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.04 -58.6 3.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.069 -1.02 . . . . 0.0 109.908 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -49.07 -45.45 43.02 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.593 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.1 mtp-105 -37.46 -38.1 0.23 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.256 0.551 . . . . 0.0 110.595 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.5 ttp-105 -75.64 50.17 0.54 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 110.221 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.238 0.542 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -119.58 167.8 11.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 168.27 140.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 169.75 -59.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.441 -0.787 . . . . 0.0 109.48 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -69.75 -4.43 19.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.467 -0.771 . . . . 0.0 109.722 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -49.14 8.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.392 -0.818 . . . . 0.0 109.613 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.12 5.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -50.02 -84.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.313 -0.867 . . . . 0.0 110.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.593 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -45.11 -23.72 0.18 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.631 -0.668 . . . . 0.0 110.825 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -61.92 1.77 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.03 -1.044 . . . . 0.0 109.827 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -46.39 -45.19 17.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.62 179.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 16.4 mtp-105 -37.95 -36.64 0.21 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.363 0.601 . . . . 0.0 110.524 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -77.57 -38.9 47.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.28 0.562 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -47.12 148.25 1.23 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.261 -0.9 . . . . 0.0 110.175 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 167.88 141.75 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 109.786 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.51 -60.58 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.486 -0.759 . . . . 0.0 109.556 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -69.73 -4.83 21.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.466 -0.771 . . . . 0.0 109.721 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -48.04 9.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.365 -0.834 . . . . 0.0 109.667 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.3 -26.11 11.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.1 t-105 -59.01 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.399 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.595 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.1 t90 -41.75 -25.74 0.06 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.688 -0.633 . . . . 0.0 110.883 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -65.63 -33.24 75.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -70.52 -45.59 65.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.325 -0.859 . . . . 0.0 109.656 179.42 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 25.8 mtp-105 -47.26 -27.02 1.37 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.761 -0.587 . . . . 0.0 110.213 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.82 -5.44 59.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.248 0.547 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -121.89 103.82 9.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 0.0 110.093 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 72.95 138.81 0.05 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.273 -0.892 . . . . 0.0 109.724 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 176.97 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.728 . . . . 0.0 109.846 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -4.63 19.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -46.64 11.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.325 -0.859 . . . . 0.0 109.594 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 8' ' ' TRP . . . -53.73 -28.45 34.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -43.42 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.0 110.07 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.4 t90 -42.98 -25.71 0.11 Allowed 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.579 -178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.99 -32.84 74.35 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.044 -1.035 . . . . 0.0 109.738 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.625 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -69.3 -45.61 69.18 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.868 0.842 . . . . 0.0 109.454 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.6 mtp-105 -47.05 -26.56 1.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.301 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -63.22 -41.53 99.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 110.15 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.17 0.509 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 85.35 1.53 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.226 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.25 37.17 0.99 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 0.0 110.164 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -35.89 78.44 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 111.041 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 4.7 12.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.092 -1.005 . . . . 0.0 110.24 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -49.98 6.0 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.67 4.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.157 -0.965 . . . . 0.0 110.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.59 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 17.7 t-105 -52.87 -83.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.59 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -47.86 -21.68 0.45 Allowed 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.629 -0.67 . . . . 0.0 110.827 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -77.89 -61.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.992 -1.067 . . . . 0.0 110.007 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -45.78 -44.17 13.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.625 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.6 mtm105 -40.53 -35.08 0.41 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.44 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -64.91 -61.21 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 110.166 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.24 0.543 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -150.66 101.72 2.96 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 110.218 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 169.92 139.51 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.194 -0.941 . . . . 0.0 109.85 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.77 -59.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 109.612 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -68.99 -5.14 19.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.447 -0.783 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -47.7 11.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.97 10.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 110.11 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.9 t-105 -61.16 -84.64 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.333 -0.855 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.1 t90 -42.39 -25.77 0.09 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.629 -0.669 . . . . 0.0 110.729 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.35 -31.25 71.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.023 -1.048 . . . . 0.0 109.709 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.618 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.82 -45.59 60.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 179.446 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.0 mtm105 -48.32 -27.8 2.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.678 -0.639 . . . . 0.0 110.168 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HD2' ' CH2' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -89.26 65.48 7.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.231 0.539 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.91 78.17 1.16 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.8 37.9 1.64 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.893 . . . . 0.0 110.264 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -35.78 75.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.312 -0.867 . . . . 0.0 111.172 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 3.93 12.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.006 -1.059 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -49.27 6.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 110.278 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.75 -21.99 4.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.075 -1.016 . . . . 0.0 110.233 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.0 t-105 -55.09 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 61.4 t90 -41.98 -26.03 0.08 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.679 -0.638 . . . . 0.0 110.818 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.97 -33.41 75.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.771 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.62 -43.56 76.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.57 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.2 mtm105 -50.87 -38.71 51.08 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.307 0.575 . . . . 0.0 110.144 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -46.64 -28.81 1.58 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.851 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.509 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 3.8 mt -102.04 96.0 6.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.885 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 167.87 140.88 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 109.834 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.5 -60.41 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.462 -0.773 . . . . 0.0 109.555 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -70.03 -4.29 20.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.764 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -49.73 8.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.338 -0.851 . . . . 0.0 109.443 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' TRP . . . -49.59 -29.21 6.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.435 -0.79 . . . . 0.0 110.145 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 15.4 t-105 -44.21 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 110.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.584 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.0 t90 -45.95 -23.16 0.26 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.596 -0.69 . . . . 0.0 110.843 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.22 -62.3 1.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.08 -1.013 . . . . 0.0 109.875 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.66 -45.23 13.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.554 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.627 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 26.7 mtp-105 -37.45 -38.77 0.26 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -60.31 -38.34 83.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 0.0 110.223 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.246 0.546 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.402 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -94.75 76.55 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.197 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 4' ' ' TRP . . . 175.86 128.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.238 -0.913 . . . . 0.0 110.084 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 74.26 -52.87 0.69 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 -179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.63 -0.74 24.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.604 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -49.22 6.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.405 -0.809 . . . . 0.0 109.608 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.37 -24.88 3.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.242 -0.911 . . . . 0.0 109.814 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 27.7 t-105 -65.12 -86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -0.844 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.4 t90 -42.25 -25.77 0.08 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.642 -0.661 . . . . 0.0 110.685 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.93 -31.78 72.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.024 -1.047 . . . . 0.0 109.791 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.633 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.49 -45.8 61.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.916 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 22.7 mtm105 -46.36 -52.1 13.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.796 -0.565 . . . . 0.0 110.378 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' NH2' ' HB3' ' A' ' 13' ' ' ARG . 3.1 ttp-105 -44.24 -38.41 3.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.294 -0.879 . . . . 0.0 110.114 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.6 tt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.174 0.511 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 2' ' ' LEU . 7.3 mp -74.82 76.48 2.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.271 -0.893 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' A' ' 4' ' ' TRP . . . 172.23 126.52 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 74.28 -51.78 0.68 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.265 -0.897 . . . . 0.0 110.205 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -76.14 0.39 19.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.632 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -49.53 6.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.729 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.88 -26.89 6.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.29 -0.881 . . . . 0.0 110.03 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.8 t-105 -60.19 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.579 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.5 t90 -42.27 -25.82 0.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.784 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.25 -31.96 72.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.997 -1.065 . . . . 0.0 109.787 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -70.21 -45.45 66.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.866 . . . . 0.0 109.604 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.2 mtm105 -46.84 -34.07 5.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.845 -0.534 . . . . 0.0 110.228 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 14' ' ' NH2 . 25.5 ttp85 -65.15 -90.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.928 . . . . 0.0 110.156 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.417 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.836 -1.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.287 0.565 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -119.61 161.03 21.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.219 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 167.76 141.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 170.37 -59.78 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 109.761 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -69.33 -5.12 21.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.432 -0.792 . . . . 0.0 109.733 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -47.49 10.86 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.332 -0.855 . . . . 0.0 109.796 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -22.08 12.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.825 . . . . 0.0 110.388 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 24.8 t-105 -68.1 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.7 t90 -42.93 -25.12 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.894 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.0 -32.02 72.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.004 -1.06 . . . . 0.0 109.728 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.04 -45.79 63.22 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.34 -0.85 . . . . 0.0 109.735 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.6 mtm105 -47.29 -28.31 1.92 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.774 -0.579 . . . . 0.0 110.187 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.506 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -61.13 -42.45 98.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.176 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.447 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 3.5 mp -99.89 172.91 6.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.36 -0.838 . . . . 0.0 110.114 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 4' ' ' TRP . . . 64.08 124.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.133 -0.979 . . . . 0.0 109.862 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 73.89 -52.52 0.69 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.257 -0.902 . . . . 0.0 110.086 -179.624 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 0.14 20.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.709 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -49.36 6.53 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.364 -0.835 . . . . 0.0 109.748 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 -22.81 1.87 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.259 -0.901 . . . . 0.0 110.099 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.602 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 16.2 t-105 -53.89 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.5 t90 -47.54 -22.59 0.49 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.49 -0.756 . . . . 0.0 110.731 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.48 -63.17 1.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.97 . . . . 0.0 110.012 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -44.07 -44.13 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 0.0 109.61 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.9 mtm105 -42.27 -33.02 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.364 0.602 . . . . 0.0 110.097 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -89.46 -57.82 2.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -159.16 100.26 1.53 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.291 -0.881 . . . . 0.0 110.268 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 2' ' ' LEU . . . 168.89 140.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.942 . . . . 0.0 109.841 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 170.07 -59.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.41 -0.806 . . . . 0.0 109.641 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -5.12 18.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -48.34 9.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.0 109.653 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.28 -31.34 53.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 13.9 t-105 -51.98 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 0.0 110.012 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.588 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 58.4 t90 -47.33 -22.11 0.38 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.593 -0.692 . . . . 0.0 110.894 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.56 -62.74 1.47 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.073 -1.017 . . . . 0.0 110.009 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -46.68 -44.23 18.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.694 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.1 mtp-105 -38.54 -43.9 0.9 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.501 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -62.88 -43.47 98.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.47 0.652 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -4.86 19.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -48.48 9.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.0 109.709 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.22 -25.87 10.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 110.229 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.1 t-105 -51.02 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.2 t90 -42.87 -25.04 0.08 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.87 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.89 -31.2 71.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.975 -1.078 . . . . 0.0 109.694 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.75 -46.01 59.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.764 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.4 mtm105 -47.1 -38.42 11.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.707 -0.62 . . . . 0.0 110.221 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 110.229 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 121.308 0.575 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -76.01 0.52 18.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 -50.38 6.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.4 -0.812 . . . . 0.0 109.683 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.62 4.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.9 t-105 -60.42 -86.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.591 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.8 t90 -41.65 -25.9 0.06 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.778 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -33.71 76.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 109.733 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.81 -45.25 71.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.455 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.2 mtp-105 -46.56 -28.18 1.35 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.285 0.564 . . . . 0.0 110.235 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 110.231 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.457 0.646 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -5.12 22.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.758 . . . . 0.0 109.816 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -47.12 11.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 0.0 109.694 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.86 -24.52 9.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 0.0 110.117 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 15.6 t-105 -49.42 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.219 -0.926 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.609 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.7 t90 -46.48 -23.57 0.4 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 0.0 110.843 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.04 -58.6 3.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.069 -1.02 . . . . 0.0 109.908 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -49.07 -45.45 43.02 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.593 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.1 mtp-105 -37.46 -38.1 0.23 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.256 0.551 . . . . 0.0 110.595 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.5 ttp-105 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.482 0.658 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -69.75 -4.43 19.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.467 -0.771 . . . . 0.0 109.722 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -49.14 8.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.392 -0.818 . . . . 0.0 109.613 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.12 5.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -50.02 -84.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.313 -0.867 . . . . 0.0 110.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.593 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -45.11 -23.72 0.18 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.631 -0.668 . . . . 0.0 110.825 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -61.92 1.77 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.03 -1.044 . . . . 0.0 109.827 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -46.39 -45.19 17.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.62 179.519 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 16.4 mtp-105 -37.95 -36.64 0.21 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.363 0.601 . . . . 0.0 110.524 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.261 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.481 0.658 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -69.73 -4.83 21.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.466 -0.771 . . . . 0.0 109.721 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -48.04 9.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.365 -0.834 . . . . 0.0 109.667 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.3 -26.11 11.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.1 t-105 -59.01 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.399 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.595 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.1 t90 -41.75 -25.74 0.06 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.688 -0.633 . . . . 0.0 110.883 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -65.63 -33.24 75.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -70.52 -45.59 65.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.325 -0.859 . . . . 0.0 109.656 179.42 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 25.8 mtp-105 -47.26 -27.02 1.37 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.761 -0.587 . . . . 0.0 110.213 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.473 0.654 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -4.63 19.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -46.64 11.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.325 -0.859 . . . . 0.0 109.594 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.743 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -53.73 -28.45 34.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -43.42 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.0 110.07 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.4 t90 -42.98 -25.71 0.11 Allowed 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.579 -178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.99 -32.84 74.35 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.044 -1.035 . . . . 0.0 109.738 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.625 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -69.3 -45.61 69.18 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.868 0.842 . . . . 0.0 109.454 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.6 mtp-105 -47.05 -26.56 1.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.301 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 110.15 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.093 0.473 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 4.7 12.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.092 -1.005 . . . . 0.0 110.24 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -49.98 6.0 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.67 4.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.157 -0.965 . . . . 0.0 110.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 17.7 t-105 -52.87 -83.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.59 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -47.86 -21.68 0.45 Allowed 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.629 -0.67 . . . . 0.0 110.827 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -77.89 -61.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.992 -1.067 . . . . 0.0 110.007 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -45.78 -44.17 13.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.625 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.6 mtm105 -40.53 -35.08 0.41 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.44 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 110.166 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.443 0.64 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -68.99 -5.14 19.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.447 -0.783 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -47.7 11.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.97 10.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 110.11 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.9 t-105 -61.16 -84.64 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.333 -0.855 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.592 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.1 t90 -42.39 -25.77 0.09 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.629 -0.669 . . . . 0.0 110.729 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.35 -31.25 71.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.023 -1.048 . . . . 0.0 109.709 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.618 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.82 -45.59 60.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 179.446 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.0 mtm105 -48.32 -27.8 2.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.678 -0.639 . . . . 0.0 110.168 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' CH2' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.112 0.482 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 3.93 12.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.006 -1.059 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -49.27 6.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 110.278 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.75 -21.99 4.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.075 -1.016 . . . . 0.0 110.233 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.0 t-105 -55.09 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 61.4 t90 -41.98 -26.03 0.08 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.679 -0.638 . . . . 0.0 110.818 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.97 -33.41 75.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.771 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.62 -43.56 76.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.57 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.2 mtm105 -50.87 -38.71 51.08 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.307 0.575 . . . . 0.0 110.144 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.498 0.666 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -70.03 -4.29 20.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.764 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -49.73 8.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.338 -0.851 . . . . 0.0 109.443 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.59 -29.21 6.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.435 -0.79 . . . . 0.0 110.145 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 15.4 t-105 -44.21 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 110.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.584 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.0 t90 -45.95 -23.16 0.26 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.596 -0.69 . . . . 0.0 110.843 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -76.22 -62.3 1.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.08 -1.013 . . . . 0.0 109.875 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.66 -45.23 13.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.554 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.627 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 26.7 mtp-105 -37.45 -38.77 0.26 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 0.0 110.223 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 121.446 0.641 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.63 -0.74 24.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.604 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -49.22 6.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.405 -0.809 . . . . 0.0 109.608 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.37 -24.88 3.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.242 -0.911 . . . . 0.0 109.814 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 27.7 t-105 -65.12 -86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -0.844 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.4 t90 -42.25 -25.77 0.08 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.642 -0.661 . . . . 0.0 110.685 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.93 -31.78 72.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.024 -1.047 . . . . 0.0 109.791 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.633 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.49 -45.8 61.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.916 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 22.7 mtm105 -46.36 -52.1 13.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.796 -0.565 . . . . 0.0 110.378 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.523 ' NH2' ' HB3' ' A' ' 13' ' ' ARG . 3.1 ttp-105 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.294 -0.879 . . . . 0.0 110.114 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 121.357 0.598 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -76.14 0.39 19.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.632 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -49.53 6.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.729 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.88 -26.89 6.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.29 -0.881 . . . . 0.0 110.03 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.8 t-105 -60.19 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.579 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.5 t90 -42.27 -25.82 0.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.784 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.25 -31.96 72.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.997 -1.065 . . . . 0.0 109.787 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.631 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -70.21 -45.45 66.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.866 . . . . 0.0 109.604 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.2 mtm105 -46.84 -34.07 5.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.845 -0.534 . . . . 0.0 110.228 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttp85 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.928 . . . . 0.0 110.156 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.368 0.604 . . . . 0.0 109.761 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -69.33 -5.12 21.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.432 -0.792 . . . . 0.0 109.733 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -47.49 10.86 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.332 -0.855 . . . . 0.0 109.796 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -22.08 12.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.825 . . . . 0.0 110.388 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 24.8 t-105 -68.1 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.7 t90 -42.93 -25.12 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.894 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.0 -32.02 72.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.004 -1.06 . . . . 0.0 109.728 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.04 -45.79 63.22 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.34 -0.85 . . . . 0.0 109.735 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.6 mtm105 -47.29 -28.31 1.92 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.774 -0.579 . . . . 0.0 110.187 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.176 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 121.395 0.617 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 0.14 20.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.709 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -49.36 6.53 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.364 -0.835 . . . . 0.0 109.748 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 -22.81 1.87 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.259 -0.901 . . . . 0.0 110.099 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 16.2 t-105 -53.89 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.5 t90 -47.54 -22.59 0.49 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.49 -0.756 . . . . 0.0 110.731 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.48 -63.17 1.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.97 . . . . 0.0 110.012 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -44.07 -44.13 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 0.0 109.61 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.9 mtm105 -42.27 -33.02 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.364 0.602 . . . . 0.0 110.097 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.215 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.4 0.619 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -5.12 18.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -48.34 9.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.0 109.653 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.28 -31.34 53.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 13.9 t-105 -51.98 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 0.0 110.012 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.588 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 58.4 t90 -47.33 -22.11 0.38 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.593 -0.692 . . . . 0.0 110.894 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.56 -62.74 1.47 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.073 -1.017 . . . . 0.0 110.009 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -46.68 -44.23 18.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.694 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.1 mtp-105 -38.54 -43.9 0.9 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.501 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.296 0.57 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.733 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.3 mt -86.33 94.0 9.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.55 140.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.271 -0.893 . . . . 0.0 109.867 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.33 -60.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.432 -0.793 . . . . 0.0 109.592 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -4.86 19.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -48.48 9.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.0 109.709 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.22 -25.87 10.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 110.229 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.1 t-105 -51.02 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.2 t90 -42.87 -25.04 0.08 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.87 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.89 -31.2 71.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.975 -1.078 . . . . 0.0 109.694 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.75 -46.01 59.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.764 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.4 mtm105 -47.1 -38.42 11.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.707 -0.62 . . . . 0.0 110.221 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -66.81 0.46 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 110.229 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 1' ' ' ILE . 3.4 mt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.285 0.564 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -73.63 147.44 43.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.302 -0.874 . . . . 0.0 110.101 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.12 137.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.531 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 75.36 -51.13 0.65 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.369 -0.832 . . . . 0.0 109.841 -179.343 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -76.01 0.52 18.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.565 ' CD1' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.38 -50.38 6.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.4 -0.812 . . . . 0.0 109.683 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.62 4.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.9 t-105 -60.42 -86.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.591 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.8 t90 -41.65 -25.9 0.06 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.778 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -33.71 76.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 109.733 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.81 -45.25 71.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.455 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.2 mtp-105 -46.56 -28.18 1.35 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.285 0.564 . . . . 0.0 110.235 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.97 -64.83 1.05 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 110.231 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.338 0.59 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -126.79 100.49 6.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.263 -0.898 . . . . 0.0 110.092 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.16 141.81 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.923 . . . . 0.0 109.747 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 172.56 -60.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.403 -0.811 . . . . 0.0 109.692 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -5.12 22.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.758 . . . . 0.0 109.816 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -47.12 11.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 0.0 109.694 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.86 -24.52 9.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 0.0 110.117 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 15.6 t-105 -49.42 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.219 -0.926 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.609 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.7 t90 -46.48 -23.57 0.4 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 0.0 110.843 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.04 -58.6 3.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.069 -1.02 . . . . 0.0 109.908 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -49.07 -45.45 43.02 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.593 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.1 mtp-105 -37.46 -38.1 0.23 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.256 0.551 . . . . 0.0 110.595 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.5 ttp-105 -75.64 50.17 0.54 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 110.221 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 1' ' ' ILE . 7.3 tp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.238 0.542 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -119.58 167.8 11.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.27 140.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 169.75 -59.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.441 -0.787 . . . . 0.0 109.48 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -69.75 -4.43 19.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.467 -0.771 . . . . 0.0 109.722 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -49.14 8.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.392 -0.818 . . . . 0.0 109.613 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.12 5.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -50.02 -84.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.313 -0.867 . . . . 0.0 110.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.593 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -45.11 -23.72 0.18 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.631 -0.668 . . . . 0.0 110.825 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -61.92 1.77 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.03 -1.044 . . . . 0.0 109.827 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -46.39 -45.19 17.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.62 179.519 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 16.4 mtp-105 -37.95 -36.64 0.21 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.363 0.601 . . . . 0.0 110.524 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -77.57 -38.9 47.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.28 0.562 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.729 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -47.12 148.25 1.23 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.261 -0.9 . . . . 0.0 110.175 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.88 141.75 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 109.786 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.51 -60.58 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.486 -0.759 . . . . 0.0 109.556 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -69.73 -4.83 21.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.466 -0.771 . . . . 0.0 109.721 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -48.04 9.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.365 -0.834 . . . . 0.0 109.667 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.3 -26.11 11.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.1 t-105 -59.01 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.399 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.595 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.1 t90 -41.75 -25.74 0.06 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.688 -0.633 . . . . 0.0 110.883 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -65.63 -33.24 75.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -70.52 -45.59 65.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.325 -0.859 . . . . 0.0 109.656 179.42 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 25.8 mtp-105 -47.26 -27.02 1.37 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.761 -0.587 . . . . 0.0 110.213 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.82 -5.44 59.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.248 0.547 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -121.89 103.82 9.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 0.0 110.093 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 2' ' ' LEU . . . 72.95 138.81 0.05 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.273 -0.892 . . . . 0.0 109.724 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 176.97 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.728 . . . . 0.0 109.846 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -4.63 19.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -46.64 11.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.325 -0.859 . . . . 0.0 109.594 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.743 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -53.73 -28.45 34.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -43.42 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.0 110.07 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.4 t90 -42.98 -25.71 0.11 Allowed 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.579 -178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.99 -32.84 74.35 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.044 -1.035 . . . . 0.0 109.738 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.625 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -69.3 -45.61 69.18 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.868 0.842 . . . . 0.0 109.454 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.6 mtp-105 -47.05 -26.56 1.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.301 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -63.22 -41.53 99.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 110.15 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.17 0.509 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 85.35 1.53 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.226 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.25 37.17 0.99 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 0.0 110.164 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -35.89 78.44 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 111.041 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 4.7 12.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.092 -1.005 . . . . 0.0 110.24 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -49.98 6.0 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.67 4.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.157 -0.965 . . . . 0.0 110.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 17.7 t-105 -52.87 -83.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.59 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -47.86 -21.68 0.45 Allowed 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.629 -0.67 . . . . 0.0 110.827 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -77.89 -61.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.992 -1.067 . . . . 0.0 110.007 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -45.78 -44.17 13.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.625 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.6 mtm105 -40.53 -35.08 0.41 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.44 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -64.91 -61.21 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 110.166 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.24 0.543 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -150.66 101.72 2.96 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 110.218 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 169.92 139.51 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.194 -0.941 . . . . 0.0 109.85 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.77 -59.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 109.612 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -68.99 -5.14 19.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.447 -0.783 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -47.7 11.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.97 10.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 110.11 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.9 t-105 -61.16 -84.64 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.333 -0.855 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.1 t90 -42.39 -25.77 0.09 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.629 -0.669 . . . . 0.0 110.729 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.35 -31.25 71.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.023 -1.048 . . . . 0.0 109.709 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.618 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.82 -45.59 60.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 179.446 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.0 mtm105 -48.32 -27.8 2.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.678 -0.639 . . . . 0.0 110.168 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' CH2' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -89.26 65.48 7.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.231 0.539 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.91 78.17 1.16 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.8 37.9 1.64 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.893 . . . . 0.0 110.264 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -35.78 75.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.312 -0.867 . . . . 0.0 111.172 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 3.93 12.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.006 -1.059 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -49.27 6.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 110.278 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.75 -21.99 4.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.075 -1.016 . . . . 0.0 110.233 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.0 t-105 -55.09 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 61.4 t90 -41.98 -26.03 0.08 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.679 -0.638 . . . . 0.0 110.818 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.97 -33.41 75.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.771 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.62 -43.56 76.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.57 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.2 mtm105 -50.87 -38.71 51.08 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.307 0.575 . . . . 0.0 110.144 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -46.64 -28.81 1.58 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.851 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 3.8 mt -102.04 96.0 6.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.885 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.87 140.88 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 109.834 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.458 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.5 -60.41 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.462 -0.773 . . . . 0.0 109.555 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -70.03 -4.29 20.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.764 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -49.73 8.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.338 -0.851 . . . . 0.0 109.443 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.59 -29.21 6.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.435 -0.79 . . . . 0.0 110.145 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 15.4 t-105 -44.21 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 110.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.584 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.0 t90 -45.95 -23.16 0.26 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.596 -0.69 . . . . 0.0 110.843 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -76.22 -62.3 1.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.08 -1.013 . . . . 0.0 109.875 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.66 -45.23 13.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.554 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.627 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 26.7 mtp-105 -37.45 -38.77 0.26 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -60.31 -38.34 83.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 0.0 110.223 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.246 0.546 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -94.75 76.55 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.197 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 175.86 128.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.238 -0.913 . . . . 0.0 110.084 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 74.26 -52.87 0.69 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 -179.619 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.63 -0.74 24.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.604 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -49.22 6.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.405 -0.809 . . . . 0.0 109.608 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.37 -24.88 3.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.242 -0.911 . . . . 0.0 109.814 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 27.7 t-105 -65.12 -86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -0.844 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.4 t90 -42.25 -25.77 0.08 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.642 -0.661 . . . . 0.0 110.685 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.93 -31.78 72.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.024 -1.047 . . . . 0.0 109.791 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.633 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.49 -45.8 61.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.916 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 22.7 mtm105 -46.36 -52.1 13.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.796 -0.565 . . . . 0.0 110.378 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' NH2' ' HB3' ' A' ' 13' ' ' ARG . 3.1 ttp-105 -44.24 -38.41 3.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.294 -0.879 . . . . 0.0 110.114 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.6 tt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.174 0.511 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.671 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 7.3 mp -74.82 76.48 2.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.271 -0.893 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 172.23 126.52 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 74.28 -51.78 0.68 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.265 -0.897 . . . . 0.0 110.205 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -76.14 0.39 19.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.632 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -49.53 6.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.729 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.88 -26.89 6.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.29 -0.881 . . . . 0.0 110.03 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.8 t-105 -60.19 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.579 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.5 t90 -42.27 -25.82 0.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.784 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.25 -31.96 72.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.997 -1.065 . . . . 0.0 109.787 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -70.21 -45.45 66.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.866 . . . . 0.0 109.604 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.2 mtm105 -46.84 -34.07 5.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.845 -0.534 . . . . 0.0 110.228 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 14' ' ' NH2 . 25.5 ttp85 -65.15 -90.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.928 . . . . 0.0 110.156 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.421 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.836 -1.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.287 0.565 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.732 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -119.61 161.03 21.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.219 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.76 141.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 170.37 -59.78 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 109.761 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -69.33 -5.12 21.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.432 -0.792 . . . . 0.0 109.733 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -47.49 10.86 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.332 -0.855 . . . . 0.0 109.796 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -22.08 12.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.825 . . . . 0.0 110.388 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 24.8 t-105 -68.1 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.7 t90 -42.93 -25.12 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.894 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.0 -32.02 72.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.004 -1.06 . . . . 0.0 109.728 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.04 -45.79 63.22 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.34 -0.85 . . . . 0.0 109.735 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.6 mtm105 -47.29 -28.31 1.92 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.774 -0.579 . . . . 0.0 110.187 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -61.13 -42.45 98.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.176 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 3.5 mp -99.89 172.91 6.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.36 -0.838 . . . . 0.0 110.114 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 2' ' ' LEU . . . 64.08 124.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.133 -0.979 . . . . 0.0 109.862 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 73.89 -52.52 0.69 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.257 -0.902 . . . . 0.0 110.086 -179.624 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 0.14 20.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.709 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -49.36 6.53 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.364 -0.835 . . . . 0.0 109.748 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 -22.81 1.87 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.259 -0.901 . . . . 0.0 110.099 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 16.2 t-105 -53.89 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.5 t90 -47.54 -22.59 0.49 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.49 -0.756 . . . . 0.0 110.731 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.48 -63.17 1.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.97 . . . . 0.0 110.012 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -44.07 -44.13 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 0.0 109.61 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.9 mtm105 -42.27 -33.02 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.364 0.602 . . . . 0.0 110.097 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -89.46 -57.82 2.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 1' ' ' ILE . 2.5 mp . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -159.16 100.26 1.53 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.291 -0.881 . . . . 0.0 110.268 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.89 140.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.942 . . . . 0.0 109.841 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 170.07 -59.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.41 -0.806 . . . . 0.0 109.641 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -5.12 18.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -48.34 9.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.0 109.653 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.28 -31.34 53.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 13.9 t-105 -51.98 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 0.0 110.012 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.588 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 58.4 t90 -47.33 -22.11 0.38 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.593 -0.692 . . . . 0.0 110.894 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.56 -62.74 1.47 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.073 -1.017 . . . . 0.0 110.009 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -46.68 -44.23 18.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.694 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.1 mtp-105 -38.54 -43.9 0.9 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.501 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -62.88 -43.47 98.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.47 0.652 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -4.86 19.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -48.48 9.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.0 109.709 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.22 -25.87 10.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 110.229 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.1 t-105 -51.02 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.2 t90 -42.87 -25.04 0.08 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.87 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.89 -31.2 71.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.975 -1.078 . . . . 0.0 109.694 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.75 -46.01 59.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.764 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.4 mtm105 -47.1 -38.42 11.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.707 -0.62 . . . . 0.0 110.221 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 110.229 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.029 0 CA-C-O 121.308 0.575 . . . . 0.0 109.841 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -76.01 0.52 18.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.38 -50.38 6.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.4 -0.812 . . . . 0.0 109.683 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.62 4.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.9 t-105 -60.42 -86.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.591 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.8 t90 -41.65 -25.9 0.06 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.778 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -33.71 76.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 109.733 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.81 -45.25 71.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.455 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.2 mtp-105 -46.56 -28.18 1.35 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.285 0.564 . . . . 0.0 110.235 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 110.231 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.457 0.646 . . . . 0.0 109.692 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -5.12 22.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.758 . . . . 0.0 109.816 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -47.12 11.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 0.0 109.694 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.86 -24.52 9.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 0.0 110.117 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 15.6 t-105 -49.42 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.219 -0.926 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.609 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.7 t90 -46.48 -23.57 0.4 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 0.0 110.843 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.04 -58.6 3.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.069 -1.02 . . . . 0.0 109.908 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -49.07 -45.45 43.02 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.593 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.1 mtp-105 -37.46 -38.1 0.23 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.256 0.551 . . . . 0.0 110.595 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.5 ttp-105 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 121.482 0.658 . . . . 0.0 109.48 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -69.75 -4.43 19.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.467 -0.771 . . . . 0.0 109.722 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -49.14 8.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.392 -0.818 . . . . 0.0 109.613 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.12 5.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -50.02 -84.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.313 -0.867 . . . . 0.0 110.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.593 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -45.11 -23.72 0.18 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.631 -0.668 . . . . 0.0 110.825 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -61.92 1.77 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.03 -1.044 . . . . 0.0 109.827 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -46.39 -45.19 17.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.62 179.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 16.4 mtp-105 -37.95 -36.64 0.21 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.363 0.601 . . . . 0.0 110.524 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.261 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.481 0.658 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -69.73 -4.83 21.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.466 -0.771 . . . . 0.0 109.721 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -48.04 9.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.365 -0.834 . . . . 0.0 109.667 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.3 -26.11 11.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.1 t-105 -59.01 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.399 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.595 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.1 t90 -41.75 -25.74 0.06 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.688 -0.633 . . . . 0.0 110.883 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -65.63 -33.24 75.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -70.52 -45.59 65.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.325 -0.859 . . . . 0.0 109.656 179.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 25.8 mtp-105 -47.26 -27.02 1.37 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.761 -0.587 . . . . 0.0 110.213 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 110.215 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.473 0.654 . . . . 0.0 109.846 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -4.63 19.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -46.64 11.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.325 -0.859 . . . . 0.0 109.594 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.743 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -53.73 -28.45 34.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -43.42 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.0 110.07 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.4 t90 -42.98 -25.71 0.11 Allowed 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.579 -178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.99 -32.84 74.35 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.044 -1.035 . . . . 0.0 109.738 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.625 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -69.3 -45.61 69.18 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.868 0.842 . . . . 0.0 109.454 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.6 mtp-105 -47.05 -26.56 1.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.301 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 110.15 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.093 0.473 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 4.7 12.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.092 -1.005 . . . . 0.0 110.24 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -49.98 6.0 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.67 4.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.157 -0.965 . . . . 0.0 110.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 17.7 t-105 -52.87 -83.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.59 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -47.86 -21.68 0.45 Allowed 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.629 -0.67 . . . . 0.0 110.827 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -77.89 -61.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.992 -1.067 . . . . 0.0 110.007 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -45.78 -44.17 13.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.625 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.6 mtm105 -40.53 -35.08 0.41 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.44 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 110.166 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 121.443 0.64 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -68.99 -5.14 19.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.447 -0.783 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -47.7 11.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.97 10.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 110.11 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.9 t-105 -61.16 -84.64 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.333 -0.855 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.592 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.1 t90 -42.39 -25.77 0.09 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.629 -0.669 . . . . 0.0 110.729 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.35 -31.25 71.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.023 -1.048 . . . . 0.0 109.709 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.618 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.82 -45.59 60.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 179.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.0 mtm105 -48.32 -27.8 2.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.678 -0.639 . . . . 0.0 110.168 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' CH2' ' A' ' 9' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 110.3 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.112 0.482 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 3.93 12.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.006 -1.059 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -49.27 6.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 110.278 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.75 -21.99 4.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.075 -1.016 . . . . 0.0 110.233 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.0 t-105 -55.09 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 61.4 t90 -41.98 -26.03 0.08 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.679 -0.638 . . . . 0.0 110.818 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.97 -33.41 75.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.771 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.62 -43.56 76.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.57 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.2 mtm105 -50.87 -38.71 51.08 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.307 0.575 . . . . 0.0 110.144 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 121.498 0.666 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -70.03 -4.29 20.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.764 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -49.73 8.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.338 -0.851 . . . . 0.0 109.443 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.59 -29.21 6.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.435 -0.79 . . . . 0.0 110.145 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 15.4 t-105 -44.21 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 110.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.584 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.0 t90 -45.95 -23.16 0.26 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.596 -0.69 . . . . 0.0 110.843 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -76.22 -62.3 1.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.08 -1.013 . . . . 0.0 109.875 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.66 -45.23 13.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.554 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.627 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 26.7 mtp-105 -37.45 -38.77 0.26 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 0.0 110.223 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 CA-C-O 121.446 0.641 . . . . 0.0 109.893 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.63 -0.74 24.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.604 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -49.22 6.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.405 -0.809 . . . . 0.0 109.608 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.37 -24.88 3.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.242 -0.911 . . . . 0.0 109.814 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 27.7 t-105 -65.12 -86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -0.844 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.4 t90 -42.25 -25.77 0.08 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.642 -0.661 . . . . 0.0 110.685 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.93 -31.78 72.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.024 -1.047 . . . . 0.0 109.791 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.633 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.49 -45.8 61.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.916 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 22.7 mtm105 -46.36 -52.1 13.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.796 -0.565 . . . . 0.0 110.378 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.523 ' NH2' ' HB3' ' A' ' 13' ' ' ARG . 3.1 ttp-105 . . . . . 0 N--CA 1.492 1.638 0 O-C-N 121.294 -0.879 . . . . 0.0 110.114 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 CA-C-O 121.357 0.598 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -76.14 0.39 19.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.632 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -49.53 6.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.729 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.88 -26.89 6.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.29 -0.881 . . . . 0.0 110.03 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.8 t-105 -60.19 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.579 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.5 t90 -42.27 -25.82 0.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.784 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.25 -31.96 72.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.997 -1.065 . . . . 0.0 109.787 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.631 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -70.21 -45.45 66.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.866 . . . . 0.0 109.604 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.2 mtm105 -46.84 -34.07 5.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.845 -0.534 . . . . 0.0 110.228 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.5 ttp85 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.928 . . . . 0.0 110.156 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.368 0.604 . . . . 0.0 109.761 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -69.33 -5.12 21.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.432 -0.792 . . . . 0.0 109.733 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -47.49 10.86 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.332 -0.855 . . . . 0.0 109.796 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -22.08 12.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.825 . . . . 0.0 110.388 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 24.8 t-105 -68.1 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.7 t90 -42.93 -25.12 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.894 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.0 -32.02 72.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.004 -1.06 . . . . 0.0 109.728 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.04 -45.79 63.22 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.34 -0.85 . . . . 0.0 109.735 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.6 mtm105 -47.29 -28.31 1.92 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.774 -0.579 . . . . 0.0 110.187 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.176 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 121.395 0.617 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 0.14 20.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.709 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -49.36 6.53 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.364 -0.835 . . . . 0.0 109.748 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 -22.81 1.87 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.259 -0.901 . . . . 0.0 110.099 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 16.2 t-105 -53.89 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.5 t90 -47.54 -22.59 0.49 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.49 -0.756 . . . . 0.0 110.731 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.48 -63.17 1.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.97 . . . . 0.0 110.012 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -44.07 -44.13 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 0.0 109.61 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.9 mtm105 -42.27 -33.02 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.364 0.602 . . . . 0.0 110.097 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 . . . . . 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.215 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 121.4 0.619 . . . . 0.0 109.641 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -5.12 18.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -48.34 9.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.0 109.653 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.28 -31.34 53.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 13.9 t-105 -51.98 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 0.0 110.012 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.588 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 58.4 t90 -47.33 -22.11 0.38 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.593 -0.692 . . . . 0.0 110.894 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.56 -62.74 1.47 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.073 -1.017 . . . . 0.0 110.009 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -46.68 -44.23 18.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.694 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.1 mtp-105 -38.54 -43.9 0.9 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.501 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.296 0.57 . . . . 0.0 110.186 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.733 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.3 mt -86.33 94.0 9.24 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.162 -0.961 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.55 140.69 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.271 -0.893 . . . . 0.0 109.867 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.33 -60.28 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.432 -0.793 . . . . 0.0 109.592 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -4.86 19.46 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.539 -0.726 . . . . 0.0 109.78 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.59 -48.48 9.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.342 -0.849 . . . . 0.0 109.709 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.22 -25.87 10.3 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.393 -0.817 . . . . 0.0 110.229 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.1 t-105 -51.02 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.894 . . . . 0.0 110.343 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.2 t90 -42.87 -25.04 0.08 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.026 -0.67 . . . . 0.0 110.87 -178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.89 -31.2 71.64 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.975 -1.078 . . . . 0.0 109.694 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -71.75 -46.01 59.86 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.347 -0.846 . . . . 0.0 109.764 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.4 mtm105 -47.1 -38.42 11.34 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.707 -0.62 . . . . 0.0 110.221 -178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -66.81 0.46 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.291 -0.881 . . . . 0.0 110.229 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.659 HG22 ' O ' ' A' ' 1' ' ' ILE . 3.4 mt . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.285 0.564 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.5 OUTLIER -73.63 147.44 43.76 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.302 -0.874 . . . . 0.0 110.101 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.12 137.32 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.203 -0.936 . . . . 0.0 109.751 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.531 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 75.36 -51.13 0.65 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.369 -0.832 . . . . 0.0 109.841 -179.343 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -76.01 0.52 18.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.424 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.565 ' CD1' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -88.38 -50.38 6.36 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.4 -0.812 . . . . 0.0 109.683 179.52 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.49 -23.62 4.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.327 -0.858 . . . . 0.0 110.298 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.9 t-105 -60.42 -86.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.27 -0.894 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.591 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.8 t90 -41.65 -25.9 0.06 Allowed 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.778 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.89 -33.71 76.19 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.99 -1.069 . . . . 0.0 109.733 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.81 -45.25 71.72 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.254 -0.904 . . . . 0.0 109.455 179.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.2 mtp-105 -46.56 -28.18 1.35 Allowed 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.285 0.564 . . . . 0.0 110.235 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -92.97 -64.83 1.05 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.225 -0.922 . . . . 0.0 110.231 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.338 0.59 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -126.79 100.49 6.2 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.263 -0.898 . . . . 0.0 110.092 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.16 141.81 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.224 -0.923 . . . . 0.0 109.747 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 172.56 -60.64 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.403 -0.811 . . . . 0.0 109.692 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.69 -5.12 22.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.488 -0.758 . . . . 0.0 109.816 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.85 -47.12 11.42 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.31 -0.869 . . . . 0.0 109.694 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.86 -24.52 9.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.354 -0.841 . . . . 0.0 110.117 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 15.6 t-105 -49.42 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.219 -0.926 . . . . 0.0 110.131 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.609 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.7 t90 -46.48 -23.57 0.4 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.563 -0.711 . . . . 0.0 110.843 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.04 -58.6 3.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.069 -1.02 . . . . 0.0 109.908 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -49.07 -45.45 43.02 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.194 -0.941 . . . . 0.0 109.593 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.62 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.1 mtp-105 -37.46 -38.1 0.23 Allowed 'General case' 0 N--CA 1.488 1.446 0 CA-C-O 121.256 0.551 . . . . 0.0 110.595 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 13' ' ' ARG . 1.5 ttp-105 -75.64 50.17 0.54 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.425 -0.797 . . . . 0.0 110.221 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.859 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 1' ' ' ILE . 7.3 tp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.238 0.542 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.721 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -119.58 167.8 11.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.234 -0.916 . . . . 0.0 110.151 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.27 140.18 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.212 -0.93 . . . . 0.0 109.917 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 169.75 -59.52 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.441 -0.787 . . . . 0.0 109.48 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -69.75 -4.43 19.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.467 -0.771 . . . . 0.0 109.722 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -49.14 8.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.392 -0.818 . . . . 0.0 109.613 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.12 5.99 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.291 -0.881 . . . . 0.0 110.284 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.593 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -50.02 -84.85 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.313 -0.867 . . . . 0.0 110.179 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.593 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -45.11 -23.72 0.18 Allowed 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.631 -0.668 . . . . 0.0 110.825 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.89 -61.92 1.77 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.03 -1.044 . . . . 0.0 109.827 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -46.39 -45.19 17.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.62 179.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 16.4 mtp-105 -37.95 -36.64 0.21 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.363 0.601 . . . . 0.0 110.524 -178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -77.57 -38.9 47.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 110.261 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.422 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.28 0.562 . . . . 0.0 110.208 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.729 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -47.12 148.25 1.23 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.261 -0.9 . . . . 0.0 110.175 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.88 141.75 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 109.786 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.51 -60.58 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.486 -0.759 . . . . 0.0 109.556 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -69.73 -4.83 21.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.466 -0.771 . . . . 0.0 109.721 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -48.04 9.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.365 -0.834 . . . . 0.0 109.667 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.3 -26.11 11.25 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.595 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 26.1 t-105 -59.01 -85.69 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.233 -0.917 . . . . 0.0 110.399 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.595 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.1 t90 -41.75 -25.74 0.06 Allowed 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.688 -0.633 . . . . 0.0 110.883 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -65.63 -33.24 75.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.076 -1.015 . . . . 0.0 109.856 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -70.52 -45.59 65.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.325 -0.859 . . . . 0.0 109.656 179.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 25.8 mtp-105 -47.26 -27.02 1.37 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.761 -0.587 . . . . 0.0 110.213 -178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.82 -5.44 59.11 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.299 -0.876 . . . . 0.0 110.215 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.248 0.547 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.755 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -121.89 103.82 9.11 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.29 -0.881 . . . . 0.0 110.093 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 2' ' ' LEU . . . 72.95 138.81 0.05 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.273 -0.892 . . . . 0.0 109.724 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 176.97 -61.08 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.536 -0.728 . . . . 0.0 109.846 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -4.63 19.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 109.814 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -46.64 11.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.325 -0.859 . . . . 0.0 109.594 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.743 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -53.73 -28.45 34.21 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.263 -0.898 . . . . 0.0 110.017 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 18.2 t-105 -43.42 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.293 -0.879 . . . . 0.0 110.07 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.4 t90 -42.98 -25.71 0.11 Allowed 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 120.047 -0.661 . . . . 0.0 110.579 -178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.99 -32.84 74.35 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.044 -1.035 . . . . 0.0 109.738 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.625 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -69.3 -45.61 69.18 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.868 0.842 . . . . 0.0 109.454 179.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 36.6 mtp-105 -47.05 -26.56 1.08 Allowed 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.301 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.9 ttp85 -63.22 -41.53 99.13 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.249 -0.907 . . . . 0.0 110.15 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.17 0.509 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.48 85.35 1.53 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 110.226 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.25 37.17 0.99 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.273 -0.892 . . . . 0.0 110.164 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -35.89 78.44 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.394 -0.816 . . . . 0.0 111.041 -179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 4.7 12.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.092 -1.005 . . . . 0.0 110.24 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.69 -49.98 6.0 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.338 -0.851 . . . . 0.0 110.097 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.67 4.1 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.157 -0.965 . . . . 0.0 110.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 17.7 t-105 -52.87 -83.21 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.309 -0.869 . . . . 0.0 110.287 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.59 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 54.8 t90 -47.86 -21.68 0.45 Allowed 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.629 -0.67 . . . . 0.0 110.827 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -77.89 -61.69 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.992 -1.067 . . . . 0.0 110.007 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -45.78 -44.17 13.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.185 -0.947 . . . . 0.0 109.625 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.6 mtm105 -40.53 -35.08 0.41 Allowed 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.44 -178.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -64.91 -61.21 2.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 110.166 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.906 -1.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.24 0.543 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.68 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -150.66 101.72 2.96 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.896 . . . . 0.0 110.218 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 169.92 139.51 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.194 -0.941 . . . . 0.0 109.85 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.77 -59.92 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.408 -0.807 . . . . 0.0 109.612 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -68.99 -5.14 19.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.447 -0.783 . . . . 0.0 109.808 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -47.7 11.13 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.281 -0.887 . . . . 0.0 109.687 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.24 -23.97 10.08 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.383 -0.823 . . . . 0.0 110.11 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.9 t-105 -61.16 -84.64 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.333 -0.855 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.1 t90 -42.39 -25.77 0.09 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.629 -0.669 . . . . 0.0 110.729 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.35 -31.25 71.92 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.023 -1.048 . . . . 0.0 109.709 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.618 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.82 -45.59 60.97 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 179.446 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.0 mtm105 -48.32 -27.8 2.75 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.678 -0.639 . . . . 0.0 110.168 -178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HD2' ' CH2' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -89.26 65.48 7.27 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 110.3 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.838 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 14.7 tt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.231 0.539 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.91 78.17 1.16 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.273 -0.892 . . . . 0.0 110.191 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.8 37.9 1.64 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.27 -0.893 . . . . 0.0 110.264 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -35.78 75.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.312 -0.867 . . . . 0.0 111.172 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.69 3.93 12.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.006 -1.059 . . . . 0.0 110.396 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.33 -49.27 6.24 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.3 -0.875 . . . . 0.0 110.278 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -52.75 -21.99 4.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.075 -1.016 . . . . 0.0 110.233 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.0 t-105 -55.09 -84.47 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.239 -0.913 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 61.4 t90 -41.98 -26.03 0.08 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.679 -0.638 . . . . 0.0 110.818 -178.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -66.97 -33.41 75.5 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.978 -1.076 . . . . 0.0 109.771 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.578 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -68.62 -43.56 76.12 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.317 -0.864 . . . . 0.0 109.57 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.578 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.2 mtm105 -50.87 -38.71 51.08 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-O 121.307 0.575 . . . . 0.0 110.144 -178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -46.64 -28.81 1.58 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.249 -0.907 . . . . 0.0 110.287 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.851 -1.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.228 0.537 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 3.8 mt -102.04 96.0 6.72 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.283 -0.885 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.87 140.88 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.189 -0.944 . . . . 0.0 109.834 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.458 ' HB2' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 171.5 -60.41 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.462 -0.773 . . . . 0.0 109.555 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -70.03 -4.29 20.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.478 -0.764 . . . . 0.0 109.764 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.32 -49.73 8.48 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.338 -0.851 . . . . 0.0 109.443 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -49.59 -29.21 6.69 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.435 -0.79 . . . . 0.0 110.145 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.592 ' CE2' ' HD2' ' A' ' 12' ' ' ARG . 15.4 t-105 -44.21 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 110.126 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.584 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.0 t90 -45.95 -23.16 0.26 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.596 -0.69 . . . . 0.0 110.843 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 7' ' ' ALA . . . -76.22 -62.3 1.66 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.08 -1.013 . . . . 0.0 109.875 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -45.66 -45.23 13.91 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.213 -0.929 . . . . 0.0 109.554 179.481 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.627 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 26.7 mtp-105 -37.45 -38.77 0.26 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-O 121.372 0.606 . . . . 0.0 110.502 -178.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttm-85 -60.31 -38.34 83.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.387 -0.821 . . . . 0.0 110.223 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' TRP . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.83 -1.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.9 tt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.246 0.546 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -94.75 76.55 3.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.195 -0.941 . . . . 0.0 110.197 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.6 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 175.86 128.3 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.238 -0.913 . . . . 0.0 110.084 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.539 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 74.26 -52.87 0.69 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 -179.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.63 -0.74 24.52 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.31 -0.869 . . . . 0.0 109.604 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.75 -49.22 6.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.405 -0.809 . . . . 0.0 109.608 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.37 -24.88 3.31 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.242 -0.911 . . . . 0.0 109.814 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.585 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 27.7 t-105 -65.12 -86.36 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.349 -0.844 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 65.4 t90 -42.25 -25.77 0.08 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.642 -0.661 . . . . 0.0 110.685 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -66.93 -31.78 72.59 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.024 -1.047 . . . . 0.0 109.791 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.633 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.49 -45.8 61.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.329 -0.857 . . . . 0.0 109.916 179.517 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 22.7 mtm105 -46.36 -52.1 13.55 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.796 -0.565 . . . . 0.0 110.378 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.523 ' NH2' ' HB3' ' A' ' 13' ' ' ARG . 3.1 ttp-105 -44.24 -38.41 3.8 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.294 -0.879 . . . . 0.0 110.114 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.885 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 13.6 tt . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.174 0.511 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.671 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 7.3 mp -74.82 76.48 2.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.271 -0.893 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 172.23 126.52 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.514 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 74.28 -51.78 0.68 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.265 -0.897 . . . . 0.0 110.205 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -76.14 0.39 19.09 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.346 -0.846 . . . . 0.0 109.632 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.59 -49.53 6.61 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.439 -0.788 . . . . 0.0 109.729 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.88 -26.89 6.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.29 -0.881 . . . . 0.0 110.03 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.579 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 23.8 t-105 -60.19 -84.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.304 -0.873 . . . . 0.0 110.257 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.579 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 63.5 t90 -42.27 -25.82 0.09 Allowed 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.682 -0.636 . . . . 0.0 110.784 -178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.25 -31.96 72.66 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.997 -1.065 . . . . 0.0 109.787 179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -70.21 -45.45 66.57 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.866 . . . . 0.0 109.604 179.384 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.631 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 24.2 mtm105 -46.84 -34.07 5.05 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.845 -0.534 . . . . 0.0 110.228 -178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 14' ' ' NH2 . 25.5 ttp85 -65.15 -90.09 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.216 -0.928 . . . . 0.0 110.156 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.421 ' N ' ' HG2' ' A' ' 13' ' ' ARG . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.836 -1.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.287 0.565 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.732 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -119.61 161.03 21.34 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.282 -0.886 . . . . 0.0 110.219 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 167.76 141.47 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.477 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 170.37 -59.78 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 109.761 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -69.33 -5.12 21.24 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.432 -0.792 . . . . 0.0 109.733 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -47.49 10.86 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.332 -0.855 . . . . 0.0 109.796 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.69 -22.08 12.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.381 -0.825 . . . . 0.0 110.388 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 24.8 t-105 -68.1 -84.93 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 110.394 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 64.7 t90 -42.93 -25.12 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.894 -178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' TRP . . . -67.0 -32.02 72.97 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.004 -1.06 . . . . 0.0 109.728 179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.634 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -71.04 -45.79 63.22 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.34 -0.85 . . . . 0.0 109.735 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.634 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 23.6 mtm105 -47.29 -28.31 1.92 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.774 -0.579 . . . . 0.0 110.187 -178.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.499 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -61.13 -42.45 98.56 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.312 -0.868 . . . . 0.0 110.176 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.162 0.506 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.65 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 3.5 mp -99.89 172.91 6.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.36 -0.838 . . . . 0.0 110.114 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.65 ' HB3' ' O ' ' A' ' 2' ' ' LEU . . . 64.08 124.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.133 -0.979 . . . . 0.0 109.862 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.542 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 73.89 -52.52 0.69 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.257 -0.902 . . . . 0.0 110.086 -179.624 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.35 0.14 20.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.38 -0.825 . . . . 0.0 109.709 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.61 -49.36 6.53 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.364 -0.835 . . . . 0.0 109.748 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.19 -22.81 1.87 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.259 -0.901 . . . . 0.0 110.099 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.603 ' CZ2' ' HD3' ' A' ' 12' ' ' ARG . 16.2 t-105 -53.89 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.346 -0.846 . . . . 0.0 110.252 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 56.5 t90 -47.54 -22.59 0.49 Allowed 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.49 -0.756 . . . . 0.0 110.731 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' TRP . . . -76.48 -63.17 1.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.147 -0.97 . . . . 0.0 110.012 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.624 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -44.07 -44.13 7.28 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.235 -0.916 . . . . 0.0 109.61 179.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.624 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 10.9 mtm105 -42.27 -33.02 0.56 Allowed 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.364 0.602 . . . . 0.0 110.097 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.4 ttp85 -89.46 -57.82 2.74 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.215 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 1' ' ' ILE . 2.5 mp . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.243 0.544 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.707 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.3 OUTLIER -159.16 100.26 1.53 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.291 -0.881 . . . . 0.0 110.268 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 2' ' ' LEU . . . 168.89 140.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.192 -0.942 . . . . 0.0 109.841 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' CB ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 170.07 -59.34 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.41 -0.806 . . . . 0.0 109.641 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -5.12 18.13 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 109.766 179.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.08 -48.34 9.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.295 -0.878 . . . . 0.0 109.653 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.28 -31.34 53.52 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.351 -0.843 . . . . 0.0 110.171 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' A' ' 9' ' ' TRP . 13.9 t-105 -51.98 -81.65 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.361 -0.837 . . . . 0.0 110.012 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.588 ' N ' ' CG ' ' A' ' 8' ' ' TRP . 58.4 t90 -47.33 -22.11 0.38 Allowed 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.593 -0.692 . . . . 0.0 110.894 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.56 -62.74 1.47 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.073 -1.017 . . . . 0.0 110.009 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -46.68 -44.23 18.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.916 . . . . 0.0 109.694 179.668 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' N ' ' CG ' ' A' ' 11' ' ' TRP . 19.1 mtp-105 -38.54 -43.9 0.9 Allowed 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.354 0.597 . . . . 0.0 110.501 -178.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -62.88 -43.47 98.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.369 -0.832 . . . . 0.0 110.198 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.876 -1.765 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_