data_1p23_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 1p23 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.532 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.418 0.628 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -115.4 -27.47 7.19 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.644 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.3 mp -44.16 -56.32 4.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -39.85 -38.88 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 2' ' ' TYR . 4.1 mpp_? -80.55 -51.65 8.51 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.69 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.45 ' CZ ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 t80 -64.73 -35.94 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.094 -1.003 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -75.72 -47.49 25.84 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 110.626 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -43.17 -27.44 0.22 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.29 -0.881 . . . . 0.0 110.05 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' D' ' 9' ' ' ALA . . . -92.91 -29.61 15.82 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -64.91 -53.65 43.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.697 -0.627 . . . . 0.0 109.706 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -48.9 -26.66 2.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.233 -0.917 . . . . 0.0 109.863 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 17.4 mt -74.98 -10.2 59.25 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.347 -0.845 . . . . 0.0 110.792 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.496 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -144.49 46.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.034 -1.041 . . . . 0.0 110.968 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.974 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.601 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.486 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.385 0.612 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -118.57 -27.67 5.86 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.64 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.5 mp -42.65 -54.21 4.11 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -44.21 -43.12 6.98 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.73 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -72.39 -46.39 55.49 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.221 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -69.93 -51.23 34.56 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.189 -0.944 . . . . 0.0 109.744 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.526 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.524 -0.735 . . . . 0.0 111.108 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.2 mtmt -46.23 -25.25 0.58 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.534 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -88.22 -25.33 22.94 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.978 0.894 . . . . 0.0 108.884 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 11.1 tptt -67.56 -64.04 0.94 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.178 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' B' ' 12' ' ' LEU . 0.0 OUTLIER -47.28 -26.94 1.36 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.767 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.493 ' N ' ' HG3' ' B' ' 11' ' ' LYS . 27.0 mt -72.03 -7.85 51.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.397 -0.814 . . . . 0.0 110.928 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.438 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -150.98 49.2 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.925 -1.11 . . . . 0.0 111.105 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.5 mm-40 . . . . . 0 C--N 1.29 -1.99 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.82 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.907 0.861 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.649 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.26 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.649 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 2.8 mp -43.61 -44.72 6.44 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -50.32 -43.37 53.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.083 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' C' ' 2' ' ' TYR . 1.5 ptm180 -80.1 -3.75 50.0 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.991 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.561 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -107.6 -51.96 2.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -70.62 -21.36 62.65 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 2.5 mttm -58.62 -51.67 68.94 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.164 -0.96 . . . . 0.0 110.235 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.534 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -68.4 -22.69 64.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.224 -0.923 . . . . 0.0 109.14 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 21.7 tptt -65.84 -65.33 0.69 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.607 -0.683 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -34.16 2.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.146 -0.971 . . . . 0.0 110.164 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.477 ' O ' HG21 ' C' ' 13' ' ' ILE . 44.8 mt -66.36 -12.43 56.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.249 -0.907 . . . . 0.0 110.891 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.498 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.3 pp -143.6 46.04 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.981 -1.074 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.289 -2.044 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.669 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.944 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.658 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 4.9 mp -42.3 -48.48 5.0 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' D' ' 8' ' ' LYS . 0.1 OUTLIER -48.95 -45.29 41.6 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -70.76 -30.85 67.47 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.597 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.532 ' N ' ' HG2' ' D' ' 5' ' ' ARG . 1.1 t80 -86.27 -55.84 3.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.263 -0.898 . . . . 0.0 109.934 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.2 OUTLIER -56.67 -32.63 65.6 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.308 -0.87 . . . . 0.0 110.595 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.62 -26.16 1.4 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -90.22 -23.82 21.15 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.397 -0.815 . . . . 0.0 109.021 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -67.58 -59.5 3.3 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.344 0.592 . . . . 0.0 109.414 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -48.93 -26.44 2.49 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.3 -0.875 . . . . 0.0 109.674 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 30.2 mt -72.59 -9.4 58.54 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.456 -0.777 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.9 OUTLIER -148.95 47.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.866 -1.146 . . . . 0.0 111.038 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 21.2 mm-40 . . . . . 0 C--N 1.291 -1.95 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.692 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 2' ' ' TYR . 88.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.721 0.772 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.47 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -47.47 -59.88 2.92 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.575 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -45.67 -27.1 0.73 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 177.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.565 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 17.9 mtp180 -93.98 -15.75 24.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.559 -0.713 . . . . 0.0 110.667 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.8 t80 -98.54 -45.06 6.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 110.413 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -73.99 -27.22 60.86 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.011 -1.056 . . . . 0.0 110.269 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -55.66 -51.41 67.33 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.059 -1.026 . . . . 0.0 109.657 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -64.25 -26.58 68.57 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.455 -0.778 . . . . 0.0 110.162 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.377 -0.827 . . . . 0.0 110.45 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 8.6 mptt -45.83 -30.73 1.78 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.227 -0.921 . . . . 0.0 110.076 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 92.7 mt -71.0 -8.77 55.61 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 110.992 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.29 47.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.027 -1.045 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 9.3 mm-40 . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.859 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.565 ' O ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.906 0.384 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' B' ' 2' ' ' TYR . 0.9 OUTLIER -90.92 -23.4 20.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' B' ' 7' ' ' PHE . 7.7 mp -44.36 -53.1 7.11 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.614 ' HD2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -40.82 -26.38 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.482 -0.761 . . . . 0.0 109.125 178.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.614 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 3.0 ptm180 -87.19 -36.26 18.1 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.324 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.583 ' CD1' HD12 ' C' ' 13' ' ' ILE . 0.3 OUTLIER -88.06 -48.2 7.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.571 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' B' ' 3' ' ' LEU . 0.4 OUTLIER -43.36 -32.06 0.77 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.716 -0.615 . . . . 0.0 110.193 179.207 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -40.59 -35.0 0.41 Allowed 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.454 -0.779 . . . . 0.0 109.623 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -86.13 -33.7 20.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.402 -0.811 . . . . 0.0 108.876 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -53.74 -47.99 70.09 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.24 -31.77 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.054 -1.029 . . . . 0.0 109.429 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 21.5 mt -72.7 -12.45 61.03 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.398 -0.814 . . . . 0.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.527 ' CD1' ' OH ' ' C' ' 2' ' ' TYR . 0.1 OUTLIER -132.93 45.78 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.119 -0.988 . . . . 0.0 110.419 179.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.289 -2.026 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.779 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . 0.489 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 23.4 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 122.008 0.908 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' C' ' 6' ' ' PHE . 0.5 OUTLIER -163.44 -154.0 0.26 Allowed 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.12 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.555 ' CD1' ' C ' ' C' ' 2' ' ' TYR . 1.8 mp 63.86 -69.57 0.08 Allowed 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -55.13 -51.02 67.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.09 -1.006 . . . . 0.0 109.362 178.131 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.497 ' HB3' ' HD2' ' C' ' 4' ' ' ARG . 4.7 ptm180 -85.3 -1.51 57.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.045 -1.034 . . . . 0.0 109.524 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.586 ' HB2' ' CE2' ' C' ' 2' ' ' TYR . 57.1 t80 -104.15 -48.22 3.93 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.409 -0.807 . . . . 0.0 110.715 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -70.33 -32.73 70.59 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.952 -1.092 . . . . 0.0 109.658 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -48.02 35.37 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.216 -0.928 . . . . 0.0 110.001 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -73.64 -23.52 59.89 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.9 tptp -62.59 -57.49 10.92 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.548 -0.72 . . . . 0.0 110.058 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' C' ' 12' ' ' LEU . 0.0 OUTLIER -44.99 -31.05 1.15 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.162 -0.961 . . . . 0.0 110.126 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.534 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 29.2 mt -72.34 -6.61 44.52 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.296 -0.878 . . . . 0.0 110.627 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.583 HD12 ' CD1' ' B' ' 6' ' ' PHE . 1.3 pp -142.23 43.65 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 7.8 mm-40 . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.677 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 7.1 mp -46.29 -59.75 2.74 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.623 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.1 -26.24 0.72 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.475 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -88.13 -29.88 20.24 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.002 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.1 OUTLIER -88.19 -49.05 7.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 110.711 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.623 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.78 -30.15 68.67 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 120.938 -1.101 . . . . 0.0 110.011 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 10.6 mttt -50.96 -56.15 13.8 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.086 -1.009 . . . . 0.0 109.361 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -56.89 -34.77 68.21 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.1 OUTLIER -59.13 -69.28 0.2 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.496 -0.753 . . . . 0.0 110.182 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 110.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 16.9 mt -66.17 -14.29 61.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.355 -0.841 . . . . 0.0 111.198 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.506 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.1 pp -146.21 46.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.951 -1.093 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 29.6 mm-40 . . . . . 0 C--N 1.29 -2.003 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.762 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.506 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.44 0.638 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -120.12 -25.44 5.74 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.878 179.245 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.1 mp -44.7 -53.89 6.82 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.506 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -46.09 -38.75 8.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -77.84 -39.64 42.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.976 -0.453 . . . . 0.0 110.31 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -49.55 14.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.978 -1.076 . . . . 0.0 109.619 179.345 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.27 -40.32 85.69 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 110.831 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -43.93 -27.76 0.39 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.134 -0.979 . . . . 0.0 109.597 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' D' ' 9' ' ' ALA . . . -83.77 -36.17 23.8 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.4 tptt -56.08 -61.22 2.53 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.637 -0.665 . . . . 0.0 109.689 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -44.97 -37.32 3.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.438 -0.789 . . . . 0.0 110.475 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 38.4 mt -65.64 -8.16 18.99 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.318 -0.863 . . . . 0.0 111.075 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.585 HG12 ' CE1' ' D' ' 6' ' ' PHE . 0.6 OUTLIER -142.97 41.57 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.026 . . . . 0.0 110.677 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.286 -2.175 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.786 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.627 0.727 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.671 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -172.38 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.671 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.9 mp -43.23 -61.1 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -37.28 -42.5 0.47 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -75.61 -55.34 5.75 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.153 179.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' C' ' 13' ' ' ILE . 1.1 t80 -60.56 -43.13 97.59 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 109.645 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -63.11 -53.95 45.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.546 -0.721 . . . . 0.0 110.533 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.549 ' HA ' ' CE ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -49.63 -21.39 1.01 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.305 -0.872 . . . . 0.0 110.05 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' C' ' 9' ' ' ALA . . . -84.21 -32.7 24.39 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.437 -0.79 . . . . 0.0 109.429 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -71.17 -61.92 1.59 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.587 -0.696 . . . . 0.0 110.169 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -47.21 -28.92 2.07 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.098 -1.002 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.525 ' CD1' ' O ' ' B' ' 8' ' ' LYS . 30.6 mt -67.81 -14.74 63.2 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.29 -0.881 . . . . 0.0 111.128 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.506 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.8 OUTLIER -146.13 46.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 111.131 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 16.2 mm-40 . . . . . 0 C--N 1.291 -1.958 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.606 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . 0.446 ' O ' ' HD3' ' C' ' 4' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.303 0.573 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.9 OUTLIER -118.51 -14.17 9.68 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 5.3 mp -53.41 -63.79 1.03 Allowed 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -43.31 -27.36 0.24 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.543 ' N ' ' HG2' ' C' ' 4' ' ' ARG . 6.1 mtp180 -84.54 -50.45 7.7 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.716 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -68.05 -44.72 75.72 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -54.01 -58.59 6.75 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.545 -0.722 . . . . 0.0 110.183 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -58.8 -13.62 6.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' C' ' 5' ' ' ARG . . . -91.86 -32.69 15.23 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.423 -0.798 . . . . 0.0 109.285 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -68.96 -59.73 2.85 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.628 -0.67 . . . . 0.0 110.451 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -28.93 4.57 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.988 -1.07 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.97 -15.28 63.44 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.431 -0.793 . . . . 0.0 111.33 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' B' ' 6' ' ' PHE . 1.6 pp -147.94 45.81 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.772 -1.205 . . . . 0.0 111.613 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 32.6 mm-40 . . . . . 0 C--N 1.289 -2.039 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.645 ' O ' ' N ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.209 -1.042 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' D' ' 7' ' ' PHE . 6.3 mp 62.3 -64.64 0.09 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.645 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -51.42 -46.58 62.98 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.296 -1.502 . . . . 0.0 109.503 177.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.602 ' HD3' ' CD1' ' D' ' 2' ' ' TYR . 3.3 ptm180 -86.31 -18.34 32.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.585 ' CE1' HG12 ' A' ' 13' ' ' ILE . 8.8 t80 -93.97 -41.57 9.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.184 -0.947 . . . . 0.0 109.62 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.606 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.5 OUTLIER -70.09 -44.13 69.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.661 -0.65 . . . . 0.0 110.638 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -42.47 -35.13 0.97 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.254 -0.904 . . . . 0.0 110.112 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.521 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -82.84 -29.01 29.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.328 -0.858 . . . . 0.0 109.113 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 12.2 tptt -64.61 -57.63 8.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.705 -0.622 . . . . 0.0 110.148 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -35.11 3.98 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.198 -0.939 . . . . 0.0 109.934 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 12.1 mt -64.52 -8.5 14.08 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.305 -0.872 . . . . 0.0 110.483 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.7 OUTLIER -148.89 46.58 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.132 -0.98 . . . . 0.0 111.119 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.291 -1.953 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.706 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.471 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 20.0 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.004 0.907 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -178.31 -32.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.9 mp -47.57 -36.48 10.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.617 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -58.36 -42.02 86.0 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.094 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -77.44 -8.2 57.36 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.506 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -100.6 -55.77 2.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.073 -1.017 . . . . 0.0 110.655 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.46 -19.41 64.56 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 7.2 mtmm -62.22 -55.1 31.85 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.134 -0.979 . . . . 0.0 109.987 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -69.92 -17.26 63.32 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.467 -0.771 . . . . 0.0 109.563 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -68.46 -57.8 5.28 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.555 -0.715 . . . . 0.0 110.714 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -46.71 -32.89 3.87 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.018 -1.051 . . . . 0.0 109.567 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 36.9 mt -63.81 -11.7 29.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.448 -0.782 . . . . 0.0 110.459 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.466 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.3 pp -144.08 43.88 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 5.5 mm-40 . . . . . 0 C--N 1.288 -2.097 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.577 ' O ' ' CD2' ' B' ' 2' ' ' TYR . 30.3 p . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.603 0.716 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.619 ' O ' ' CD1' ' B' ' 2' ' ' TYR . 0.0 OUTLIER 82.76 -14.69 0.73 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' B' ' 6' ' ' PHE . 6.2 mt -76.76 -38.24 54.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -49.39 -27.44 4.07 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 176.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.54 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -90.2 -27.51 19.49 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.366 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 3' ' ' LEU . 85.9 t80 -77.46 -54.95 5.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.628 -0.67 . . . . 0.0 110.892 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.2 OUTLIER -62.3 -40.69 97.11 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.065 -1.022 . . . . 0.0 110.162 -179.355 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' B' ' 7' ' ' PHE . 0.1 OUTLIER -43.47 -51.65 6.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.169 -0.957 . . . . 0.0 109.558 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' B' ' 12' ' ' LEU . . . -70.25 -47.32 61.86 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 1.5 tptm -39.76 -47.79 2.12 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.593 -0.692 . . . . 0.0 109.676 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -32.57 7.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 110.463 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.55 ' CD2' ' O ' ' B' ' 9' ' ' ALA . 1.3 pp -74.68 -7.01 51.91 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.045 -1.034 . . . . 0.0 110.679 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' C' ' 6' ' ' PHE . 0.4 OUTLIER -139.97 45.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.977 . . . . 0.0 110.93 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.293 -1.862 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.682 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . 0.472 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 18.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.562 0.696 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' C' ' 4' ' ' ARG . 1.0 OUTLIER -159.64 -152.52 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.15 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' C' ' 7' ' ' PHE . 6.7 mp 58.37 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -45.49 -53.46 8.86 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.955 -1.09 . . . . 0.0 109.639 179.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' C' ' 1' ' ' CYS . 7.8 ptm180 -81.29 -21.4 39.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.587 ' HB2' ' CE2' ' C' ' 2' ' ' TYR . 3.5 t80 -87.07 -52.07 5.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.398 -0.814 . . . . 0.0 109.908 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -57.26 -42.74 82.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.391 -0.818 . . . . 0.0 109.446 179.054 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -30.36 1.48 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.743 0.782 . . . . 0.0 109.056 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -88.11 -39.01 14.91 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 5.4 tptm -52.54 -47.94 66.43 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.385 -0.822 . . . . 0.0 109.622 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 2.4 mmtt -46.12 -37.38 6.83 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.13 -0.981 . . . . 0.0 109.311 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 18.7 mt -62.36 -11.95 18.44 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.376 -0.827 . . . . 0.0 110.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.452 HG13 ' O ' ' C' ' 10' ' ' LYS . 1.7 pp -138.05 42.79 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.116 -0.99 . . . . 0.0 110.684 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.6 mm-40 . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.787 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.655 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.655 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 8.5 mp -46.99 -57.01 5.44 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -52.74 -19.4 2.41 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.465 179.23 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.524 ' HD3' ' HB2' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -91.67 -16.91 26.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 110.341 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -101.29 -51.76 3.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.259 -0.9 . . . . 0.0 110.26 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.9 -23.0 64.14 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.11 -0.994 . . . . 0.0 110.014 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -54.46 -49.99 68.77 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.182 -0.949 . . . . 0.0 110.299 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.86 63.03 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.276 -0.89 . . . . 0.0 109.229 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 5.6 tptm -73.37 -65.26 0.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 110.324 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.9 mmtt -44.76 -29.7 0.82 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.953 . . . . 0.0 109.801 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.76 -8.54 48.98 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.381 -0.825 . . . . 0.0 110.725 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.485 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.2 pp -149.28 47.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.145 -0.972 . . . . 0.0 111.042 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.485 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 4.1 mm-40 . . . . . 0 C--N 1.29 -2.012 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.711 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.536 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.342 0.591 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.642 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -110.24 -25.18 10.28 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.847 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.642 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 9.5 mp -44.32 -57.99 3.18 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -41.94 -37.62 1.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -79.97 -40.56 27.77 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.225 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -47.33 22.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 0.0 109.485 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -63.5 -40.87 98.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.46 -0.775 . . . . 0.0 110.791 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 9.9 mtpt -46.59 -25.38 0.69 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.232 -0.917 . . . . 0.0 110.204 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -91.86 -27.6 17.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.414 -0.804 . . . . 0.0 109.194 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -67.82 -55.64 12.2 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.654 -0.653 . . . . 0.0 110.224 179.579 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.39 4.21 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 110.063 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 mt -72.56 -7.27 49.26 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.287 -0.883 . . . . 0.0 110.765 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.477 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.38 46.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 . . . . . 0 C--N 1.29 -1.979 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.69 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 71.9 m . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.606 0.717 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.95 -30.34 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 5.3 mp -46.04 -68.09 0.23 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.561 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -43.13 -28.17 0.27 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.561 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 7.0 mtp180 -85.64 -42.85 13.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.302 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' B' ' 2' ' ' TYR . 5.0 t80 -73.65 -45.82 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.333 -0.854 . . . . 0.0 109.321 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.83 -54.1 50.34 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.698 -0.626 . . . . 0.0 110.456 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 2.4 mtmt -54.58 -17.27 3.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.461 ' O ' HG13 ' B' ' 13' ' ' ILE . . . -86.79 -34.75 19.47 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.396 -0.815 . . . . 0.0 109.421 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -68.15 -60.95 2.09 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -51.42 -19.38 1.35 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 110.358 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.481 ' O ' ' CG2' ' B' ' 13' ' ' ILE . 28.1 mt -86.02 -1.37 57.28 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.131 -0.981 . . . . 0.0 111.392 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.515 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.6 OUTLIER -161.79 47.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.846 -1.158 . . . . 0.0 111.205 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 38.5 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.662 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.395 0.617 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.619 ' CE1' ' HD3' ' C' ' 5' ' ' ARG . 0.1 OUTLIER -149.88 -151.17 0.38 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.612 ' N ' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER 60.21 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.633 ' HD2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -54.9 -37.43 66.32 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.935 . . . . 0.0 108.965 178.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.633 ' N ' ' HD2' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -81.28 -28.19 34.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 0.0 109.099 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -85.21 -56.48 3.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.57 -0.706 . . . . 0.0 110.755 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -64.76 -20.7 66.51 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.116 -0.99 . . . . 0.0 110.458 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.8 OUTLIER -59.96 -52.17 66.54 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.985 -1.072 . . . . 0.0 109.83 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -67.84 -21.53 65.18 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.347 -0.846 . . . . 0.0 109.297 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.464 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -64.37 0.89 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.62 -0.675 . . . . 0.0 110.244 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' C' ' 10' ' ' LYS . 0.1 OUTLIER -42.8 -28.25 0.23 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.256 -0.902 . . . . 0.0 109.689 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 30.5 mt -68.95 -12.85 62.04 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.415 -0.803 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.444 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 0.8 OUTLIER -145.6 47.46 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.991 -1.068 . . . . 0.0 111.193 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.464 ' HG3' ' C ' ' C' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.29 -2.009 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.622 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.613 ' CZ ' HD13 ' D' ' 3' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.613 HD13 ' CZ ' ' D' ' 2' ' ' TYR . 5.9 mp -47.61 -60.56 2.46 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.639 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.96 -25.57 0.82 Allowed 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.341 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.556 ' CD ' ' HB2' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -88.93 -28.67 20.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 110.311 179.263 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -84.68 -47.8 10.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.73 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.639 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -74.36 -26.39 60.1 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.058 -1.027 . . . . 0.0 110.569 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 7.8 mttt -62.43 -47.68 83.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.058 -1.026 . . . . 0.0 109.68 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -68.3 -26.5 65.66 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.431 -0.793 . . . . 0.0 108.945 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 2.7 tptp -61.32 -63.4 1.3 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.714 -0.616 . . . . 0.0 109.763 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' D' ' 10' ' ' LYS . 1.4 mmtm -38.99 -33.28 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.645 -0.66 . . . . 0.0 110.537 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.32 -17.2 64.67 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 0.0 110.941 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 pp -146.59 -32.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 122.207 1.003 . . . . 0.0 111.982 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' D' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.271 -2.82 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.17 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 4' ' ' ARG . 16.8 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.999 0.904 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 174.67 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.644 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -49.41 -50.02 42.34 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.541 ' CD ' ' HB2' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -51.69 -35.36 42.44 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -65.98 -44.27 85.39 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.769 178.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.76 -49.98 54.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.249 -0.907 . . . . 0.0 108.966 179.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 m-85 -53.14 -38.3 62.58 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.469 -0.77 . . . . 0.0 110.347 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.6 mtpp -50.71 -19.7 1.02 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.272 -0.893 . . . . 0.0 109.908 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' D' ' 9' ' ' ALA . . . -97.41 -22.2 16.74 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 10.6 tptt -72.74 -55.61 6.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.833 -0.542 . . . . 0.0 109.945 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -48.26 -26.12 1.84 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.3 -0.875 . . . . 0.0 109.841 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 13' ' ' ILE . 20.4 mt -69.32 -16.33 63.53 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.491 -0.756 . . . . 0.0 110.905 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.513 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -146.42 48.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 111.295 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 12.9 mm-40 . . . . . 0 C--N 1.291 -1.938 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.638 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.468 ' O ' ' HD3' ' B' ' 4' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.491 0.662 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -114.85 -23.55 9.09 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 6.9 mp -46.15 -61.49 1.74 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.526 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -44.58 -27.02 0.42 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.539 ' CD ' ' HB2' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -85.18 -37.13 20.52 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.788 178.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.535 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 6.2 t80 -83.63 -49.73 8.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.397 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -55.81 -41.35 74.06 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER -48.9 -23.8 1.24 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.441 179.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' C' ' 9' ' ' ALA . . . -89.68 -25.36 21.26 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -66.22 -61.6 1.93 Allowed 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.321 0.581 . . . . 0.0 109.952 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -46.94 -34.23 5.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.544 ' CD1' ' HG3' ' C' ' 5' ' ' ARG . 29.6 mt -70.58 -5.29 28.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.399 -0.813 . . . . 0.0 110.818 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -146.1 46.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.025 -1.047 . . . . 0.0 110.862 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.293 -1.855 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.691 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.959 0.885 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.659 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.32 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 7.2 mp -45.9 -31.27 2.07 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.622 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -63.18 -47.43 82.67 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -71.71 -14.41 62.02 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.982 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' C' ' 6' ' ' PHE . 0.2 OUTLIER -92.29 -62.97 1.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.303 -0.873 . . . . 0.0 110.631 -179.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.622 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -62.34 -23.83 66.99 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.971 -1.081 . . . . 0.0 110.475 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 6.4 mttt -56.34 -53.65 54.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.013 -1.054 . . . . 0.0 109.328 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.488 ' HB2' ' CB ' ' B' ' 9' ' ' ALA . . . -58.0 -30.78 66.35 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.532 -0.73 . . . . 0.0 109.76 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.1 OUTLIER -64.4 -66.53 0.53 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.452 -0.78 . . . . 0.0 110.159 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 10' ' ' LYS . 6.3 mmpt? -43.59 -34.25 1.38 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.292 -0.88 . . . . 0.0 109.875 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 27.1 mt -63.15 -12.42 27.55 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.493 -0.754 . . . . 0.0 110.652 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.482 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.1 pp -144.54 44.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.041 -1.037 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.482 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 13.7 mm-40 . . . . . 0 C--N 1.29 -2.017 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CG ' ' N ' ' D' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.208 -1.114 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.638 ' N ' ' CG ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -49.27 -51.95 30.42 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -46.67 -29.17 1.74 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.2 OUTLIER -90.47 -29.75 17.75 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.212 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -84.09 -44.32 14.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.416 -0.803 . . . . 0.0 110.659 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.593 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -69.73 -38.76 76.99 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 -179.198 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.6 OUTLIER -54.34 -54.88 34.48 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.124 -0.985 . . . . 0.0 110.451 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -65.35 -19.16 65.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -71.41 -66.15 0.66 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.509 -0.744 . . . . 0.0 110.318 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' D' ' 10' ' ' LYS . 0.8 OUTLIER -44.34 -29.57 0.69 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.149 -0.97 . . . . 0.0 109.772 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.407 ' O ' HG21 ' D' ' 13' ' ' ILE . 47.7 mt -67.62 -15.33 63.59 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.356 -0.84 . . . . 0.0 110.99 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.537 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -150.23 49.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.952 -1.092 . . . . 0.0 111.284 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.537 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 22.3 mm-40 . . . . . 0 C--N 1.293 -1.878 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.665 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.161 0.505 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.72 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -163.5 -99.71 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.62 ' HG ' ' CD1' ' A' ' 2' ' ' TYR . 1.8 pp -54.06 -47.87 71.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.514 -1.274 . . . . 0.0 109.277 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.541 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -53.58 -39.71 65.04 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -55.06 -26.87 40.58 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -96.46 -45.01 6.93 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -62.03 -27.13 68.67 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.647 -0.658 . . . . 0.0 110.641 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 1.7 ttpt -60.69 -14.5 21.25 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.094 -1.004 . . . . 0.0 109.36 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -94.98 -30.9 13.88 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.69 0.757 . . . . 0.0 109.431 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -69.01 -52.47 28.44 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.612 -0.68 . . . . 0.0 109.944 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -32.87 8.34 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.764 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 40.4 mt -63.31 -14.61 51.65 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.507 -0.746 . . . . 0.0 110.888 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.52 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -142.54 44.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.97 . . . . 0.0 110.959 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 27.4 mm-40 . . . . . 0 C--N 1.29 -1.984 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.752 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.545 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 2.1 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.493 0.664 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.672 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.7 OUTLIER -115.94 -27.26 7.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.693 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.672 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 8.1 mp -43.58 -54.65 4.79 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.545 ' NE ' ' HA ' ' B' ' 1' ' ' CYS . 0.3 OUTLIER -42.48 -39.89 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -74.89 -44.08 50.82 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.065 179.042 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.466 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -74.71 -50.43 17.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 0.0 109.951 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.567 ' CE1' ' HE3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -58.52 -40.5 83.08 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.344 -0.848 . . . . 0.0 110.485 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -42.11 -27.05 0.11 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.423 -0.798 . . . . 0.0 110.245 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -87.65 -32.72 19.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.336 -0.852 . . . . 0.0 109.408 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -72.99 -54.72 7.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.905 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -27.75 12.74 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.206 -0.934 . . . . 0.0 109.544 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.402 HD13 ' O ' ' B' ' 8' ' ' LYS . 22.2 mt -74.86 -2.86 28.72 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.462 -0.774 . . . . 0.0 110.939 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.512 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 1.2 pp -151.02 45.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.01 -1.056 . . . . 0.0 111.328 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 8.8 mm-40 . . . . . 0 C--N 1.289 -2.045 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.704 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' C' ' 2' ' ' TYR . 16.4 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.931 0.872 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.649 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER 176.12 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.649 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 8.9 mp -47.24 -47.66 24.64 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -61.9 -22.84 65.91 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.492 179.008 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.564 ' CD ' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -99.97 3.97 44.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.931 -1.106 . . . . 0.0 110.309 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -111.14 -47.95 3.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.582 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' C' ' 6' ' ' PHE . 0.3 OUTLIER -74.96 -32.32 61.7 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -61.73 -46.52 89.29 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.43 -0.794 . . . . 0.0 109.676 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -64.23 -28.64 69.87 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.3 tptt -66.63 -64.09 0.93 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.669 -0.645 . . . . 0.0 109.679 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' C' ' 11' ' ' LYS . 38.1 mmtt -43.73 -37.92 2.92 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.237 -0.915 . . . . 0.0 109.817 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' C' ' 9' ' ' ALA . 34.9 mt -63.16 -9.9 12.87 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.415 -0.803 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.526 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.2 pp -146.64 46.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.189 -0.944 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.526 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 14.5 mm-40 . . . . . 0 C--N 1.29 -1.989 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.625 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 9.1 mp -48.18 -59.21 3.58 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -45.95 -26.74 0.76 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.581 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -91.34 -22.97 20.25 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.187 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -91.7 -46.91 7.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.639 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -73.89 -22.72 59.61 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.896 -1.127 . . . . 0.0 110.082 -179.386 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 1.7 mttt -60.63 -52.67 64.17 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.217 -0.927 . . . . 0.0 109.957 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -68.85 -20.92 64.3 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.319 -0.863 . . . . 0.0 108.881 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -64.99 -64.38 0.88 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.727 -0.608 . . . . 0.0 110.091 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' D' ' 12' ' ' LEU . 0.0 OUTLIER -44.68 -30.68 0.98 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 109.758 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' D' ' 11' ' ' LYS . 14.7 mt -67.13 -10.31 48.89 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.364 -0.835 . . . . 0.0 110.25 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.451 HG13 ' O ' ' D' ' 10' ' ' LYS . 1.4 pp -143.81 44.21 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.604 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 3.8 mm-40 . . . . . 0 C--N 1.288 -2.099 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.774 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 1' ' ' CYS . 74.4 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.399 0.619 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 1.9 p90 -112.02 -18.4 12.63 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' NH2' ' B' ' 4' ' ' ARG . 6.1 mp -46.11 -68.29 0.21 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.565 ' HG2' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -43.02 -29.44 0.34 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.565 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 3.6 mpp_? -84.55 -38.94 19.39 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.235 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 -81.44 -48.03 12.42 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 109.196 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -52.07 -46.21 65.06 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 8.8 mtpt -50.78 -22.21 2.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.296 -0.877 . . . . 0.0 109.132 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' D' ' 9' ' ' ALA . . . -93.19 -45.85 7.68 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.1 tptt -46.7 -47.61 20.41 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.709 -0.62 . . . . 0.0 109.647 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -49.01 -28.79 4.22 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.035 -1.041 . . . . 0.0 109.364 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.1 mt -73.19 -9.24 58.51 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.403 -0.81 . . . . 0.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.485 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -140.14 45.2 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.092 -1.005 . . . . 0.0 110.559 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.73 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.433 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 10.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.36 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.8 mp -46.35 -65.51 0.54 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.554 ' NH2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.39 -31.22 0.23 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.549 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -81.24 -49.32 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.146 178.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -69.13 -50.44 47.89 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.485 -0.76 . . . . 0.0 109.464 179.133 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.594 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 0.1 OUTLIER -58.74 -39.98 82.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 110.606 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -46.03 -27.43 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.261 -0.899 . . . . 0.0 109.8 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -85.23 -30.51 23.78 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 3.8 tptm -63.77 -64.84 0.79 Allowed 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.231 0.539 . . . . 0.0 109.883 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -44.61 -34.68 2.25 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.309 -0.869 . . . . 0.0 110.054 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 22.1 mt -63.19 -13.67 40.05 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.267 -0.896 . . . . 0.0 110.586 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.49 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -147.18 48.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.021 -1.05 . . . . 0.0 111.306 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 6.0 mm-40 . . . . . 0 C--N 1.292 -1.899 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.583 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . 0.495 ' HB2' ' CD ' ' C' ' 4' ' ' ARG . 12.8 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 122.329 1.061 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.63 ' CG ' ' N ' ' C' ' 3' ' ' LEU . 0.2 OUTLIER 174.8 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.63 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -50.64 -51.02 52.79 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.1 OUTLIER -48.0 -28.49 2.8 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.415 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.5 OUTLIER -87.1 -25.7 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.78 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.0 OUTLIER -91.2 -45.13 8.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.038 -1.039 . . . . 0.0 110.738 -179.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -72.1 -26.46 62.15 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.054 -1.029 . . . . 0.0 110.833 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' C' ' 9' ' ' ALA . 0.5 OUTLIER -61.88 -50.2 73.15 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.033 -1.042 . . . . 0.0 109.593 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.508 ' N ' ' HG3' ' C' ' 8' ' ' LYS . . . -65.99 -23.26 66.55 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.812 . . . . 0.0 109.271 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 1.9 tptp -71.47 -64.25 0.96 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.64 -0.663 . . . . 0.0 110.279 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' LYS . 7.0 mmtp -43.72 -32.84 1.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 110.122 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.71 -16.19 37.04 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.32 -0.863 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.5 pp -145.66 44.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.484 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 5.0 mm-40 . . . . . 0 C--N 1.288 -2.081 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.646 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' D' ' 2' ' ' TYR . 1.1 p90 . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -52.85 -34.31 53.73 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -55.79 -18.58 8.81 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER -104.16 -19.19 14.23 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.52 0.676 . . . . 0.0 109.469 178.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.52 ' HB3' ' HA ' ' D' ' 3' ' ' LEU . 1.4 t80 -98.45 -43.84 6.74 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.383 -0.823 . . . . 0.0 110.162 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -66.85 -29.49 69.42 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 120.969 -1.082 . . . . 0.0 109.191 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.28 -47.3 25.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.478 -0.764 . . . . 0.0 109.304 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -76.91 -33.46 57.77 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.309 -0.869 . . . . 0.0 108.735 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 0.6 OUTLIER -51.04 -52.78 39.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.391 -0.818 . . . . 0.0 109.647 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.456 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 2.9 mmtp -42.34 -37.5 1.56 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.422 -0.798 . . . . 0.0 110.153 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 91.5 mt -65.02 -13.69 58.53 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.316 -0.865 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' D' ' 14' ' ' GLU . 2.8 pp -139.48 -37.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 122.436 1.112 . . . . 0.0 111.766 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' D' ' 13' ' ' ILE . 1.3 mt-10 . . . . . 0 C--N 1.269 -2.925 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.265 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -130.42 -22.0 2.8 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.04 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 2' ' ' TYR . 8.6 mp -46.87 -41.23 15.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.609 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -61.98 -39.35 91.88 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -85.13 -0.61 55.11 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.476 179.372 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CE1' HG12 ' D' ' 13' ' ' ILE . 1.8 t80 -107.1 -53.98 2.54 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.172 -0.955 . . . . 0.0 110.096 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.23 -24.0 64.86 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.018 -1.051 . . . . 0.0 110.118 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -60.65 -56.28 23.21 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 109.809 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' D' ' 9' ' ' ALA . . . -66.03 -22.01 66.42 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.356 -0.84 . . . . 0.0 109.142 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -67.09 -65.75 0.64 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.557 -0.714 . . . . 0.0 109.85 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -35.81 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.511 0.672 . . . . 0.0 109.975 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.8 mt -67.85 -43.74 78.79 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.412 -0.805 . . . . 0.0 110.615 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' LYS . 1.2 pt -134.53 -6.06 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.006 -1.059 . . . . 0.0 112.64 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.276 -2.6 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.96 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.429 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 122.036 0.922 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -162.24 -39.14 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -42.4 -40.29 2.49 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.373 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -52.78 -45.96 67.39 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.5 OUTLIER -75.33 -14.21 60.47 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.285 178.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' B' ' 3' ' ' LEU . 15.4 t80 -94.38 -58.32 2.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -62.47 -28.54 69.89 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.067 -1.02 . . . . 0.0 109.93 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 19.5 mtpt -48.92 -52.17 26.09 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.205 -0.934 . . . . 0.0 109.994 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.528 ' CB ' ' HB1' ' C' ' 9' ' ' ALA . . . -61.56 -33.91 74.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -62.44 -64.2 1.0 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.345 -0.847 . . . . 0.0 110.188 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 10' ' ' LYS . 37.0 mmtt -43.78 -35.27 1.82 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.144 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 16.9 mt -65.81 -10.56 38.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.336 -0.853 . . . . 0.0 111.178 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.522 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.5 OUTLIER -146.79 47.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.03 -1.044 . . . . 0.0 110.894 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 18.4 mm-40 . . . . . 0 C--N 1.292 -1.908 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.693 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . 0.498 ' HA ' ' NE ' ' C' ' 4' ' ' ARG . 14.0 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 122.141 0.972 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' C' ' 2' ' ' TYR . 0.2 OUTLIER -169.7 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.59 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.4 OUTLIER -44.53 -47.31 10.17 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.5 OUTLIER -46.98 -35.14 6.24 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.6 OUTLIER -86.2 -18.55 31.87 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.818 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.3 OUTLIER -95.0 -49.64 5.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.343 -0.848 . . . . 0.0 110.193 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' CD ' ' C' ' 8' ' ' LYS . 0.1 OUTLIER -68.98 -34.25 75.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.025 -1.047 . . . . 0.0 109.634 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.628 ' CD ' ' CZ ' ' C' ' 7' ' ' PHE . 0.4 OUTLIER -44.63 -57.75 3.46 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.564 ' O ' ' CG1' ' C' ' 13' ' ' ILE . . . -58.19 -36.79 73.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.629 -0.669 . . . . 0.0 110.179 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.545 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -59.92 -63.63 1.23 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.258 -0.902 . . . . 0.0 109.728 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -49.28 16.55 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.547 ' CD2' ' HA ' ' C' ' 9' ' ' ALA . 1.0 OUTLIER -65.63 -7.5 15.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.901 -1.125 . . . . 0.0 111.874 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.564 ' CG1' ' O ' ' C' ' 9' ' ' ALA . 1.6 pp -134.97 41.23 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.594 -1.316 . . . . 0.0 111.502 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mm-40 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.617 ' O ' ' N ' ' D' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.208 -1.126 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' D' ' 6' ' ' PHE . 0.3 OUTLIER -43.04 -46.06 5.45 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.599 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 1.8 mpt_? -46.42 -38.06 8.5 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.1 OUTLIER -84.95 -26.81 26.94 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.241 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -82.11 -43.54 17.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 110.338 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -75.07 -28.96 60.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.085 -1.01 . . . . 0.0 110.282 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' D' ' 9' ' ' ALA . 0.7 OUTLIER -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.176 -0.953 . . . . 0.0 109.683 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.526 ' N ' ' HG3' ' D' ' 8' ' ' LYS . . . -69.3 -22.49 63.79 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.256 -0.903 . . . . 0.0 109.086 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 10.4 tptt -66.75 -64.88 0.76 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.615 -0.678 . . . . 0.0 110.374 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.5 mmtt -43.31 -34.39 1.2 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.852 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 14.3 mt -61.13 -12.39 12.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.453 -0.78 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.581 HG12 ' CE1' ' A' ' 6' ' ' PHE . 1.2 pp -149.44 46.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.187 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.509 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.4 mm-40 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.685 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' NE ' ' A' ' 4' ' ' ARG . 24.4 p . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.657 0.742 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.628 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 2.6 p90 -78.58 -19.69 52.21 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 176.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.628 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 9.8 mp -47.34 -45.55 24.79 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.997 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -56.98 -15.71 5.51 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 118.689 -1.204 . . . . 0.0 108.491 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -96.8 -22.22 17.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.92 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -97.54 -49.99 4.67 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.901 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.25 -26.61 65.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.985 . . . . 0.0 109.63 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 1.1 mttt -53.0 -56.59 14.96 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.433 ' CB ' ' HB1' ' D' ' 9' ' ' ALA . . . -61.58 -31.64 71.7 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.457 -0.777 . . . . 0.0 109.53 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -69.09 -66.31 0.59 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.47 -0.768 . . . . 0.0 110.368 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -32.37 2.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.95 . . . . 0.0 109.864 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 13' ' ' ILE . 56.0 mt -66.54 -9.76 38.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.362 -0.837 . . . . 0.0 110.732 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.502 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -149.05 46.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.121 -0.987 . . . . 0.0 111.014 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 29.0 mm-40 . . . . . 0 C--N 1.29 -1.998 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' CYS . . . . . 0.52 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 22.5 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.525 0.679 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.8 OUTLIER -120.21 -36.27 3.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -43.32 -49.94 6.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.883 0.849 . . . . 0.0 108.736 178.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -43.83 -32.28 1.03 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.8 OUTLIER -88.57 -24.86 22.75 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.437 179.22 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' LEU . 0.4 OUTLIER -89.51 -44.03 10.41 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.24 -0.912 . . . . 0.0 110.679 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -71.12 -32.75 69.39 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.85 -1.156 . . . . 0.0 110.239 -179.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.0 OUTLIER -56.56 -54.97 39.68 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.16 -0.963 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -65.06 -20.53 66.53 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.258 -0.902 . . . . 0.0 109.346 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -67.18 -66.44 0.56 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 109.749 179.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' B' ' 10' ' ' LYS . 5.1 mmtp -34.89 -31.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.385 0.612 . . . . 0.0 110.298 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 10' ' ' LYS . 11.4 mt -66.18 -42.9 88.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 10' ' ' LYS . 1.1 pt -131.97 -8.36 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.928 -1.107 . . . . 0.0 112.448 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.277 -2.573 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.171 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' CYS . . . . . 0.47 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 90.2 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.797 0.808 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' TYR . . . . . 0.61 ' O ' ' HB2' ' C' ' 3' ' ' LEU . 0.2 OUTLIER -159.28 -167.14 1.98 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' C' ' 2' ' ' TYR . 6.0 mp 65.19 -51.35 0.35 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.527 0.679 . . . . 0.0 109.406 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -67.68 -51.58 48.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.123 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . 0.48 ' HD3' ' HA ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -79.13 5.45 11.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.763 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' PHE . . . . . 0.629 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -104.2 -57.79 1.98 Allowed 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.305 -0.872 . . . . 0.0 109.811 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' PHE . . . . . 0.629 ' N ' ' CD2' ' C' ' 6' ' ' PHE . 1.1 p90 -70.38 -30.61 67.57 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.874 -1.141 . . . . 0.0 109.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -55.93 -50.31 71.1 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.176 -0.952 . . . . 0.0 110.248 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -67.76 -26.61 66.2 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.421 -0.8 . . . . 0.0 108.993 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -61.61 -65.51 0.68 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.745 -0.597 . . . . 0.0 110.324 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mmtt -41.75 -36.17 0.95 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 0.0 110.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' HG21 ' C' ' 13' ' ' ILE . 51.4 mt -66.67 -11.53 54.4 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.438 -0.789 . . . . 0.0 111.209 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ILE . . . . . 0.519 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 0.5 OUTLIER -147.15 50.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.095 -1.003 . . . . 0.0 111.119 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.519 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 9.7 mm-40 . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.716 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 5.4 mp -47.4 -53.78 13.03 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -49.82 -28.78 6.83 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . 0.601 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 1.3 ptm180 -95.27 4.97 52.94 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.414 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -114.19 -47.2 2.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.061 -1.024 . . . . 0.0 109.824 179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.3 OUTLIER -75.88 -25.03 55.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.192 -0.943 . . . . 0.0 110.106 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 3.1 mttm -61.03 -52.34 65.39 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.162 -0.961 . . . . 0.0 109.963 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.433 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -70.24 -22.28 62.91 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.314 -0.867 . . . . 0.0 109.304 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -63.0 -60.4 3.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.696 -0.628 . . . . 0.0 110.241 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -32.87 1.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.33 -0.856 . . . . 0.0 110.264 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 26.3 mt -68.98 -8.68 47.01 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.381 -0.824 . . . . 0.0 111.186 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ILE . . . . . 0.534 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -151.04 48.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.933 -1.104 . . . . 0.0 111.096 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' GLU . . . . . 0.534 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.2 mm-40 . . . . . 0 C--N 1.292 -1.904 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.662 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.532 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.418 0.628 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -115.4 -27.47 7.19 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.644 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.3 mp -44.16 -56.32 4.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.532 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -39.85 -38.88 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 2' ' ' TYR . 4.1 mpp_? -80.55 -51.65 8.51 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.69 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' CZ ' ' HD3' ' A' ' 10' ' ' LYS . 4.8 t80 -64.73 -35.94 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.094 -1.003 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -75.72 -47.49 25.84 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 110.626 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -43.17 -27.44 0.22 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.29 -0.881 . . . . 0.0 110.05 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' D' ' 9' ' ' ALA . . . -92.91 -29.61 15.82 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -64.91 -53.65 43.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.697 -0.627 . . . . 0.0 109.706 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -48.9 -26.66 2.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.233 -0.917 . . . . 0.0 109.863 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 17.4 mt -74.98 -10.2 59.25 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.347 -0.845 . . . . 0.0 110.792 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.496 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -144.49 46.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.034 -1.041 . . . . 0.0 110.968 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.974 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.601 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.486 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.385 0.612 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -118.57 -27.67 5.86 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.64 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.5 mp -42.65 -54.21 4.11 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -44.21 -43.12 6.98 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.73 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -72.39 -46.39 55.49 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.221 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -69.93 -51.23 34.56 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.189 -0.944 . . . . 0.0 109.744 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.526 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.524 -0.735 . . . . 0.0 111.108 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.2 mtmt -46.23 -25.25 0.58 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.534 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -88.22 -25.33 22.94 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.978 0.894 . . . . 0.0 108.884 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 11.1 tptt -67.56 -64.04 0.94 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.178 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' B' ' 12' ' ' LEU . 0.0 OUTLIER -47.28 -26.94 1.36 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.767 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.493 ' N ' ' HG3' ' B' ' 11' ' ' LYS . 27.0 mt -72.03 -7.85 51.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.397 -0.814 . . . . 0.0 110.928 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.438 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -150.98 49.2 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.925 -1.11 . . . . 0.0 111.105 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.5 mm-40 . . . . . 0 C--N 1.29 -1.99 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.82 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.907 0.861 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.649 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.26 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.649 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 2.8 mp -43.61 -44.72 6.44 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.593 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -50.32 -43.37 53.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.083 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' C' ' 2' ' ' TYR . 1.5 ptm180 -80.1 -3.75 50.0 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.991 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.561 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -107.6 -51.96 2.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -70.62 -21.36 62.65 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 2.5 mttm -58.62 -51.67 68.94 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.164 -0.96 . . . . 0.0 110.235 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.534 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -68.4 -22.69 64.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.224 -0.923 . . . . 0.0 109.14 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 21.7 tptt -65.84 -65.33 0.69 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.607 -0.683 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -34.16 2.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.146 -0.971 . . . . 0.0 110.164 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.477 ' O ' HG21 ' C' ' 13' ' ' ILE . 44.8 mt -66.36 -12.43 56.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.249 -0.907 . . . . 0.0 110.891 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.498 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.3 pp -143.6 46.04 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.981 -1.074 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.289 -2.044 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.669 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.945 0.879 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.658 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER -173.49 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.014 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.658 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 4.9 mp -42.3 -48.48 5.0 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' D' ' 8' ' ' LYS . 0.1 OUTLIER -48.95 -45.29 41.6 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.56 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -70.76 -30.85 67.47 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.597 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.532 ' N ' ' HG2' ' D' ' 5' ' ' ARG . 1.1 t80 -86.27 -55.84 3.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.263 -0.898 . . . . 0.0 109.934 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.2 OUTLIER -56.67 -32.63 65.6 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.308 -0.87 . . . . 0.0 110.595 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.62 -26.16 1.4 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -90.22 -23.82 21.15 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.397 -0.815 . . . . 0.0 109.021 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -67.58 -59.5 3.3 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.344 0.592 . . . . 0.0 109.414 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -48.93 -26.44 2.49 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.3 -0.875 . . . . 0.0 109.674 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 30.2 mt -72.59 -9.4 58.54 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.456 -0.777 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.9 OUTLIER -148.95 47.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.866 -1.146 . . . . 0.0 111.038 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 21.2 mm-40 . . . . . 0 C--N 1.291 -1.95 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.692 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 2' ' ' TYR . 88.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.721 0.772 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.47 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -47.47 -59.88 2.92 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.286 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.575 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -45.67 -27.1 0.73 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 177.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.565 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 17.9 mtp180 -93.98 -15.75 24.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.559 -0.713 . . . . 0.0 110.667 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.8 t80 -98.54 -45.06 6.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 110.413 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.575 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -73.99 -27.22 60.86 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.011 -1.056 . . . . 0.0 110.269 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -55.66 -51.41 67.33 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.059 -1.026 . . . . 0.0 109.657 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -64.25 -26.58 68.57 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.455 -0.778 . . . . 0.0 110.162 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.377 -0.827 . . . . 0.0 110.45 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 8.6 mptt -45.83 -30.73 1.78 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.227 -0.921 . . . . 0.0 110.076 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 92.7 mt -71.0 -8.77 55.61 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 110.992 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.29 47.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.027 -1.045 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 9.3 mm-40 . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.859 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.565 ' O ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.906 0.384 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' B' ' 2' ' ' TYR . 0.9 OUTLIER -90.92 -23.4 20.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' B' ' 7' ' ' PHE . 7.7 mp -44.36 -53.1 7.11 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.614 ' HD2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -40.82 -26.38 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.482 -0.761 . . . . 0.0 109.125 178.287 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.614 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 3.0 ptm180 -87.19 -36.26 18.1 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.324 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.583 ' CD1' HD12 ' C' ' 13' ' ' ILE . 0.3 OUTLIER -88.06 -48.2 7.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.571 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.575 ' N ' ' O ' ' B' ' 3' ' ' LEU . 0.4 OUTLIER -43.36 -32.06 0.77 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.716 -0.615 . . . . 0.0 110.193 179.207 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -40.59 -35.0 0.41 Allowed 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.454 -0.779 . . . . 0.0 109.623 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -86.13 -33.7 20.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.402 -0.811 . . . . 0.0 108.876 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.554 ' HB3' ' CD1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -53.74 -47.99 70.09 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.24 -31.77 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.054 -1.029 . . . . 0.0 109.429 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 21.5 mt -72.7 -12.45 61.03 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.398 -0.814 . . . . 0.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.527 ' CD1' ' OH ' ' C' ' 2' ' ' TYR . 0.1 OUTLIER -132.93 45.78 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.119 -0.988 . . . . 0.0 110.419 179.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.289 -2.026 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.779 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . 0.489 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 23.4 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 122.008 0.908 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' C' ' 6' ' ' PHE . 0.5 OUTLIER -163.44 -154.0 0.26 Allowed 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.12 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.555 ' CD1' ' C ' ' C' ' 2' ' ' TYR . 1.8 mp 63.86 -69.57 0.08 Allowed 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -55.13 -51.02 67.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.09 -1.006 . . . . 0.0 109.362 178.131 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.497 ' HB3' ' HD2' ' C' ' 4' ' ' ARG . 4.7 ptm180 -85.3 -1.51 57.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.045 -1.034 . . . . 0.0 109.524 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.586 ' HB2' ' CE2' ' C' ' 2' ' ' TYR . 57.1 t80 -104.15 -48.22 3.93 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.409 -0.807 . . . . 0.0 110.715 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -70.33 -32.73 70.59 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.952 -1.092 . . . . 0.0 109.658 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -48.02 35.37 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.216 -0.928 . . . . 0.0 110.001 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -73.64 -23.52 59.89 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.9 tptp -62.59 -57.49 10.92 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.548 -0.72 . . . . 0.0 110.058 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.534 ' HG3' ' N ' ' C' ' 12' ' ' LEU . 0.0 OUTLIER -44.99 -31.05 1.15 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.162 -0.961 . . . . 0.0 110.126 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.534 ' N ' ' HG3' ' C' ' 11' ' ' LYS . 29.2 mt -72.34 -6.61 44.52 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.296 -0.878 . . . . 0.0 110.627 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.583 HD12 ' CD1' ' B' ' 6' ' ' PHE . 1.3 pp -142.23 43.65 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 7.8 mm-40 . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.677 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.482 ' O ' ' HD3' ' D' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.508 0.671 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.9 OUTLIER -112.87 -23.2 10.25 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 7.1 mp -46.29 -59.75 2.74 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.623 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.1 -26.24 0.72 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.475 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -88.13 -29.88 20.24 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.002 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.1 OUTLIER -88.19 -49.05 7.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 110.711 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.623 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.78 -30.15 68.67 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 120.938 -1.101 . . . . 0.0 110.011 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 10.6 mttt -50.96 -56.15 13.8 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.086 -1.009 . . . . 0.0 109.361 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -56.89 -34.77 68.21 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.1 OUTLIER -59.13 -69.28 0.2 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.496 -0.753 . . . . 0.0 110.182 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 110.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 16.9 mt -66.17 -14.29 61.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.355 -0.841 . . . . 0.0 111.198 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.506 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.1 pp -146.21 46.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.951 -1.093 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 29.6 mm-40 . . . . . 0 C--N 1.29 -2.003 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.762 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.506 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.44 0.638 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -120.12 -25.44 5.74 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.878 179.245 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.1 mp -44.7 -53.89 6.82 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.506 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -46.09 -38.75 8.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -77.84 -39.64 42.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.976 -0.453 . . . . 0.0 110.31 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -49.55 14.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.978 -1.076 . . . . 0.0 109.619 179.345 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.27 -40.32 85.69 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 110.831 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -43.93 -27.76 0.39 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.134 -0.979 . . . . 0.0 109.597 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' D' ' 9' ' ' ALA . . . -83.77 -36.17 23.8 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.4 tptt -56.08 -61.22 2.53 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.637 -0.665 . . . . 0.0 109.689 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -44.97 -37.32 3.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.438 -0.789 . . . . 0.0 110.475 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 38.4 mt -65.64 -8.16 18.99 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.318 -0.863 . . . . 0.0 111.075 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.585 HG12 ' CE1' ' D' ' 6' ' ' PHE . 0.6 OUTLIER -142.97 41.57 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.026 . . . . 0.0 110.677 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.286 -2.175 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.786 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.627 0.727 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.671 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -172.38 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.671 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.9 mp -43.23 -61.1 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -37.28 -42.5 0.47 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.1 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -75.61 -55.34 5.75 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.153 179.225 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.563 ' CD1' HG12 ' C' ' 13' ' ' ILE . 1.1 t80 -60.56 -43.13 97.59 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 109.645 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -63.11 -53.95 45.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.546 -0.721 . . . . 0.0 110.533 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.549 ' HA ' ' CE ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -49.63 -21.39 1.01 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.305 -0.872 . . . . 0.0 110.05 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' C' ' 9' ' ' ALA . . . -84.21 -32.7 24.39 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.437 -0.79 . . . . 0.0 109.429 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -71.17 -61.92 1.59 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.587 -0.696 . . . . 0.0 110.169 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -47.21 -28.92 2.07 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.098 -1.002 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.525 ' CD1' ' O ' ' B' ' 8' ' ' LYS . 30.6 mt -67.81 -14.74 63.2 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.29 -0.881 . . . . 0.0 111.128 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.506 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.8 OUTLIER -146.13 46.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 111.131 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 16.2 mm-40 . . . . . 0 C--N 1.291 -1.958 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.606 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . 0.446 ' O ' ' HD3' ' C' ' 4' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.303 0.573 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.575 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.9 OUTLIER -118.51 -14.17 9.68 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.575 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 5.3 mp -53.41 -63.79 1.03 Allowed 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -43.31 -27.36 0.24 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.461 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.543 ' N ' ' HG2' ' C' ' 4' ' ' ARG . 6.1 mtp180 -84.54 -50.45 7.7 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.716 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -68.05 -44.72 75.72 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -54.01 -58.59 6.75 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.545 -0.722 . . . . 0.0 110.183 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -58.8 -13.62 6.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' C' ' 5' ' ' ARG . . . -91.86 -32.69 15.23 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.423 -0.798 . . . . 0.0 109.285 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -68.96 -59.73 2.85 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.628 -0.67 . . . . 0.0 110.451 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -28.93 4.57 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.988 -1.07 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.97 -15.28 63.44 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.431 -0.793 . . . . 0.0 111.33 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' B' ' 6' ' ' PHE . 1.6 pp -147.94 45.81 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.772 -1.205 . . . . 0.0 111.613 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 32.6 mm-40 . . . . . 0 C--N 1.289 -2.039 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.811 0.815 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.645 ' O ' ' N ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER -145.95 -161.93 1.41 Allowed 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.606 ' O ' ' N ' ' D' ' 7' ' ' PHE . 6.3 mp 62.3 -64.64 0.09 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.645 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -51.42 -46.58 62.98 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.296 -1.502 . . . . 0.0 109.503 177.811 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.602 ' HD3' ' CD1' ' D' ' 2' ' ' TYR . 3.3 ptm180 -86.31 -18.34 32.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.585 ' CE1' HG12 ' A' ' 13' ' ' ILE . 8.8 t80 -93.97 -41.57 9.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.184 -0.947 . . . . 0.0 109.62 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.606 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.5 OUTLIER -70.09 -44.13 69.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.661 -0.65 . . . . 0.0 110.638 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -42.47 -35.13 0.97 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.254 -0.904 . . . . 0.0 110.112 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.521 ' CB ' ' HB1' ' A' ' 9' ' ' ALA . . . -82.84 -29.01 29.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.328 -0.858 . . . . 0.0 109.113 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 12.2 tptt -64.61 -57.63 8.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.705 -0.622 . . . . 0.0 110.148 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -35.11 3.98 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.198 -0.939 . . . . 0.0 109.934 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 12.1 mt -64.52 -8.5 14.08 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.305 -0.872 . . . . 0.0 110.483 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.7 OUTLIER -148.89 46.58 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.132 -0.98 . . . . 0.0 111.119 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.291 -1.953 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.706 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.471 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 20.0 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.004 0.907 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -178.31 -32.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.9 mp -47.57 -36.48 10.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.617 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -58.36 -42.02 86.0 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.094 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -77.44 -8.2 57.36 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.506 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -100.6 -55.77 2.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.073 -1.017 . . . . 0.0 110.655 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.617 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.46 -19.41 64.56 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 7.2 mtmm -62.22 -55.1 31.85 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.134 -0.979 . . . . 0.0 109.987 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -69.92 -17.26 63.32 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.467 -0.771 . . . . 0.0 109.563 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -68.46 -57.8 5.28 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.555 -0.715 . . . . 0.0 110.714 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -46.71 -32.89 3.87 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.018 -1.051 . . . . 0.0 109.567 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 36.9 mt -63.81 -11.7 29.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.448 -0.782 . . . . 0.0 110.459 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.3 pp -144.08 43.88 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 5.5 mm-40 . . . . . 0 C--N 1.288 -2.097 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.577 ' O ' ' CD2' ' B' ' 2' ' ' TYR . 30.3 p . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.603 0.716 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.619 ' O ' ' CD1' ' B' ' 2' ' ' TYR . 0.0 OUTLIER 82.76 -14.69 0.73 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' B' ' 6' ' ' PHE . 6.2 mt -76.76 -38.24 54.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.568 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -49.39 -27.44 4.07 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 176.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.54 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -90.2 -27.51 19.49 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.366 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' B' ' 3' ' ' LEU . 85.9 t80 -77.46 -54.95 5.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.628 -0.67 . . . . 0.0 110.892 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.2 OUTLIER -62.3 -40.69 97.11 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.065 -1.022 . . . . 0.0 110.162 -179.355 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' B' ' 7' ' ' PHE . 0.1 OUTLIER -43.47 -51.65 6.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.169 -0.957 . . . . 0.0 109.558 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' B' ' 12' ' ' LEU . . . -70.25 -47.32 61.86 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 1.5 tptm -39.76 -47.79 2.12 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.593 -0.692 . . . . 0.0 109.676 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -32.57 7.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 110.463 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.55 ' CD2' ' O ' ' B' ' 9' ' ' ALA . 1.3 pp -74.68 -7.01 51.91 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.045 -1.034 . . . . 0.0 110.679 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.533 ' CD1' ' HA ' ' C' ' 6' ' ' PHE . 0.4 OUTLIER -139.97 45.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.977 . . . . 0.0 110.93 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.293 -1.862 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.682 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . 0.472 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 18.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.562 0.696 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' C' ' 4' ' ' ARG . 1.0 OUTLIER -159.64 -152.52 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.15 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.632 ' O ' ' N ' ' C' ' 7' ' ' PHE . 6.7 mp 58.37 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -45.49 -53.46 8.86 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.955 -1.09 . . . . 0.0 109.639 179.114 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' C' ' 1' ' ' CYS . 7.8 ptm180 -81.29 -21.4 39.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.587 ' HB2' ' CE2' ' C' ' 2' ' ' TYR . 3.5 t80 -87.07 -52.07 5.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.398 -0.814 . . . . 0.0 109.908 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -57.26 -42.74 82.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.391 -0.818 . . . . 0.0 109.446 179.054 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -30.36 1.48 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.743 0.782 . . . . 0.0 109.056 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -88.11 -39.01 14.91 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.539 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 5.4 tptm -52.54 -47.94 66.43 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.385 -0.822 . . . . 0.0 109.622 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 2.4 mmtt -46.12 -37.38 6.83 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.13 -0.981 . . . . 0.0 109.311 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 18.7 mt -62.36 -11.95 18.44 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.376 -0.827 . . . . 0.0 110.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.452 HG13 ' O ' ' C' ' 10' ' ' LYS . 1.7 pp -138.05 42.79 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.116 -0.99 . . . . 0.0 110.684 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.6 mm-40 . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.787 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.465 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 21.1 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 122.187 0.994 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.655 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER 176.57 -34.27 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.655 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 8.5 mp -46.99 -57.01 5.44 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.597 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -52.74 -19.4 2.41 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.465 179.23 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.524 ' HD3' ' HB2' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -91.67 -16.91 26.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 110.341 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -101.29 -51.76 3.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.259 -0.9 . . . . 0.0 110.26 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.597 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.9 -23.0 64.14 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.11 -0.994 . . . . 0.0 110.014 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -54.46 -49.99 68.77 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.182 -0.949 . . . . 0.0 110.299 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.86 63.03 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.276 -0.89 . . . . 0.0 109.229 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 5.6 tptm -73.37 -65.26 0.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 110.324 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.9 mmtt -44.76 -29.7 0.82 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.953 . . . . 0.0 109.801 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.76 -8.54 48.98 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.381 -0.825 . . . . 0.0 110.725 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.485 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.2 pp -149.28 47.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.145 -0.972 . . . . 0.0 111.042 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.485 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 4.1 mm-40 . . . . . 0 C--N 1.29 -2.012 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.711 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.536 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.342 0.591 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.642 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -110.24 -25.18 10.28 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.847 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.642 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 9.5 mp -44.32 -57.99 3.18 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -41.94 -37.62 1.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -79.97 -40.56 27.77 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.225 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -47.33 22.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 0.0 109.485 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -63.5 -40.87 98.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.46 -0.775 . . . . 0.0 110.791 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 9.9 mtpt -46.59 -25.38 0.69 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.232 -0.917 . . . . 0.0 110.204 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -91.86 -27.6 17.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.414 -0.804 . . . . 0.0 109.194 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -67.82 -55.64 12.2 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.654 -0.653 . . . . 0.0 110.224 179.579 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.39 4.21 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 110.063 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.7 mt -72.56 -7.27 49.26 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.287 -0.883 . . . . 0.0 110.765 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.477 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.38 46.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 . . . . . 0 C--N 1.29 -1.979 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.69 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.425 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 71.9 m . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.606 0.717 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.95 -30.34 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 5.3 mp -46.04 -68.09 0.23 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.561 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -43.13 -28.17 0.27 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.561 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 7.0 mtp180 -85.64 -42.85 13.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.302 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' B' ' 2' ' ' TYR . 5.0 t80 -73.65 -45.82 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.333 -0.854 . . . . 0.0 109.321 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.83 -54.1 50.34 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.698 -0.626 . . . . 0.0 110.456 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 2.4 mtmt -54.58 -17.27 3.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.461 ' O ' HG13 ' B' ' 13' ' ' ILE . . . -86.79 -34.75 19.47 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.396 -0.815 . . . . 0.0 109.421 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -68.15 -60.95 2.09 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -51.42 -19.38 1.35 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 110.358 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.481 ' O ' ' CG2' ' B' ' 13' ' ' ILE . 28.1 mt -86.02 -1.37 57.28 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.131 -0.981 . . . . 0.0 111.392 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.515 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.6 OUTLIER -161.79 47.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.846 -1.158 . . . . 0.0 111.205 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 38.5 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.662 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.395 0.617 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.619 ' CE1' ' HD3' ' C' ' 5' ' ' ARG . 0.1 OUTLIER -149.88 -151.17 0.38 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.612 ' N ' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER 60.21 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.633 ' HD2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -54.9 -37.43 66.32 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.935 . . . . 0.0 108.965 178.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.633 ' N ' ' HD2' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -81.28 -28.19 34.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 0.0 109.099 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -85.21 -56.48 3.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.57 -0.706 . . . . 0.0 110.755 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -64.76 -20.7 66.51 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.116 -0.99 . . . . 0.0 110.458 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.8 OUTLIER -59.96 -52.17 66.54 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.985 -1.072 . . . . 0.0 109.83 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.465 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -67.84 -21.53 65.18 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.347 -0.846 . . . . 0.0 109.297 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.464 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -64.37 0.89 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.62 -0.675 . . . . 0.0 110.244 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' C' ' 10' ' ' LYS . 0.1 OUTLIER -42.8 -28.25 0.23 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.256 -0.902 . . . . 0.0 109.689 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 30.5 mt -68.95 -12.85 62.04 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.415 -0.803 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.444 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 0.8 OUTLIER -145.6 47.46 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.991 -1.068 . . . . 0.0 111.193 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.464 ' HG3' ' C ' ' C' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.29 -2.009 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.622 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.485 ' O ' ' HD3' ' D' ' 4' ' ' ARG . 1.6 m . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.568 0.699 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.613 ' CZ ' HD13 ' D' ' 3' ' ' LEU . 0.7 OUTLIER -116.72 -19.58 9.88 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.613 HD13 ' CZ ' ' D' ' 2' ' ' TYR . 5.9 mp -47.61 -60.56 2.46 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.639 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.96 -25.57 0.82 Allowed 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.341 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.556 ' CD ' ' HB2' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -88.93 -28.67 20.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 110.311 179.263 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -84.68 -47.8 10.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.73 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.639 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -74.36 -26.39 60.1 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.058 -1.027 . . . . 0.0 110.569 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 7.8 mttt -62.43 -47.68 83.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.058 -1.026 . . . . 0.0 109.68 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -68.3 -26.5 65.66 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.431 -0.793 . . . . 0.0 108.945 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 2.7 tptp -61.32 -63.4 1.3 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.714 -0.616 . . . . 0.0 109.763 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' D' ' 10' ' ' LYS . 1.4 mmtm -38.99 -33.28 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.645 -0.66 . . . . 0.0 110.537 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.32 -17.2 64.67 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 0.0 110.941 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 1.9 pp -146.59 -32.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 122.207 1.003 . . . . 0.0 111.982 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' D' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.271 -2.82 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.17 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' A' ' 4' ' ' ARG . 16.8 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.999 0.904 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 174.67 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.644 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -49.41 -50.02 42.34 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.541 ' CD ' ' HB2' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -51.69 -35.36 42.44 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -65.98 -44.27 85.39 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.769 178.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.76 -49.98 54.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.249 -0.907 . . . . 0.0 108.966 179.258 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 m-85 -53.14 -38.3 62.58 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.469 -0.77 . . . . 0.0 110.347 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.6 mtpp -50.71 -19.7 1.02 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.272 -0.893 . . . . 0.0 109.908 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' D' ' 9' ' ' ALA . . . -97.41 -22.2 16.74 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 10.6 tptt -72.74 -55.61 6.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.833 -0.542 . . . . 0.0 109.945 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -48.26 -26.12 1.84 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.3 -0.875 . . . . 0.0 109.841 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 13' ' ' ILE . 20.4 mt -69.32 -16.33 63.53 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.491 -0.756 . . . . 0.0 110.905 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.513 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -146.42 48.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 111.295 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 12.9 mm-40 . . . . . 0 C--N 1.291 -1.938 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.638 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.468 ' O ' ' HD3' ' B' ' 4' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.491 0.662 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.638 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.8 OUTLIER -114.85 -23.55 9.09 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.638 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 6.9 mp -46.15 -61.49 1.74 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.526 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -44.58 -27.02 0.42 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.539 ' CD ' ' HB2' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -85.18 -37.13 20.52 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.788 178.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.535 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 6.2 t80 -83.63 -49.73 8.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.397 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -55.81 -41.35 74.06 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER -48.9 -23.8 1.24 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.441 179.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' C' ' 9' ' ' ALA . . . -89.68 -25.36 21.26 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.531 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -66.22 -61.6 1.93 Allowed 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.321 0.581 . . . . 0.0 109.952 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -46.94 -34.23 5.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.544 ' CD1' ' HG3' ' C' ' 5' ' ' ARG . 29.6 mt -70.58 -5.29 28.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.399 -0.813 . . . . 0.0 110.818 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -146.1 46.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.025 -1.047 . . . . 0.0 110.862 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.293 -1.855 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.691 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.959 0.885 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.659 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.32 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 7.2 mp -45.9 -31.27 2.07 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.622 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -63.18 -47.43 82.67 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -71.71 -14.41 62.02 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.982 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' C' ' 6' ' ' PHE . 0.2 OUTLIER -92.29 -62.97 1.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.303 -0.873 . . . . 0.0 110.631 -179.394 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.622 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -62.34 -23.83 66.99 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.971 -1.081 . . . . 0.0 110.475 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 6.4 mttt -56.34 -53.65 54.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.013 -1.054 . . . . 0.0 109.328 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.488 ' HB2' ' CB ' ' B' ' 9' ' ' ALA . . . -58.0 -30.78 66.35 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.532 -0.73 . . . . 0.0 109.76 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.1 OUTLIER -64.4 -66.53 0.53 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.452 -0.78 . . . . 0.0 110.159 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 10' ' ' LYS . 6.3 mmpt? -43.59 -34.25 1.38 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.292 -0.88 . . . . 0.0 109.875 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 27.1 mt -63.15 -12.42 27.55 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.493 -0.754 . . . . 0.0 110.652 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.482 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.1 pp -144.54 44.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.041 -1.037 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.482 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 13.7 mm-40 . . . . . 0 C--N 1.29 -2.017 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.505 ' HB2' ' HD3' ' D' ' 4' ' ' ARG . 27.3 p . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 122.388 1.089 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CG ' ' N ' ' D' ' 3' ' ' LEU . 0.3 OUTLIER 177.36 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.962 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.638 ' N ' ' CG ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -49.27 -51.95 30.42 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.582 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -46.67 -29.17 1.74 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.624 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.2 OUTLIER -90.47 -29.75 17.75 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.212 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -84.09 -44.32 14.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.416 -0.803 . . . . 0.0 110.659 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.593 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -69.73 -38.76 76.99 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 -179.198 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.6 OUTLIER -54.34 -54.88 34.48 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.124 -0.985 . . . . 0.0 110.451 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.476 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -65.35 -19.16 65.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -71.41 -66.15 0.66 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.509 -0.744 . . . . 0.0 110.318 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' D' ' 10' ' ' LYS . 0.8 OUTLIER -44.34 -29.57 0.69 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.149 -0.97 . . . . 0.0 109.772 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.407 ' O ' HG21 ' D' ' 13' ' ' ILE . 47.7 mt -67.62 -15.33 63.59 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.356 -0.84 . . . . 0.0 110.99 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.537 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -150.23 49.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.952 -1.092 . . . . 0.0 111.284 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.537 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 22.3 mm-40 . . . . . 0 C--N 1.293 -1.878 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.665 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.161 0.505 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.72 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -163.5 -99.71 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.62 ' HG ' ' CD1' ' A' ' 2' ' ' TYR . 1.8 pp -54.06 -47.87 71.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.514 -1.274 . . . . 0.0 109.277 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.541 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -53.58 -39.71 65.04 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.624 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.527 ' HD3' ' HA ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -55.06 -26.87 40.58 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -96.46 -45.01 6.93 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -62.03 -27.13 68.67 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.647 -0.658 . . . . 0.0 110.641 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 1.7 ttpt -60.69 -14.5 21.25 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.094 -1.004 . . . . 0.0 109.36 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -94.98 -30.9 13.88 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.69 0.757 . . . . 0.0 109.431 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -69.01 -52.47 28.44 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.612 -0.68 . . . . 0.0 109.944 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -32.87 8.34 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.764 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 40.4 mt -63.31 -14.61 51.65 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.507 -0.746 . . . . 0.0 110.888 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.52 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -142.54 44.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.97 . . . . 0.0 110.959 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 27.4 mm-40 . . . . . 0 C--N 1.29 -1.984 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.752 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.545 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 2.1 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.493 0.664 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.672 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.7 OUTLIER -115.94 -27.26 7.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.693 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.672 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 8.1 mp -43.58 -54.65 4.79 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.545 ' NE ' ' HA ' ' B' ' 1' ' ' CYS . 0.3 OUTLIER -42.48 -39.89 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -74.89 -44.08 50.82 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.065 179.042 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.466 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -74.71 -50.43 17.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 0.0 109.951 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.567 ' CE1' ' HE3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -58.52 -40.5 83.08 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.344 -0.848 . . . . 0.0 110.485 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -42.11 -27.05 0.11 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.423 -0.798 . . . . 0.0 110.245 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -87.65 -32.72 19.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.336 -0.852 . . . . 0.0 109.408 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.567 ' HE3' ' CE1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -72.99 -54.72 7.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.905 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -27.75 12.74 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.206 -0.934 . . . . 0.0 109.544 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.402 HD13 ' O ' ' B' ' 8' ' ' LYS . 22.2 mt -74.86 -2.86 28.72 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.462 -0.774 . . . . 0.0 110.939 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.512 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 1.2 pp -151.02 45.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.01 -1.056 . . . . 0.0 111.328 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 8.8 mm-40 . . . . . 0 C--N 1.289 -2.045 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.704 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . 0.482 ' O ' ' HB3' ' C' ' 2' ' ' TYR . 16.4 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.931 0.872 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.649 ' CE2' ' CD1' ' C' ' 3' ' ' LEU . 0.1 OUTLIER 176.12 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.649 ' CD1' ' CE2' ' C' ' 2' ' ' TYR . 8.9 mp -47.24 -47.66 24.64 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.587 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -61.9 -22.84 65.91 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.492 179.008 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.564 ' CD ' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -99.97 3.97 44.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.931 -1.106 . . . . 0.0 110.309 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -111.14 -47.95 3.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.582 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' C' ' 6' ' ' PHE . 0.3 OUTLIER -74.96 -32.32 61.7 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -61.73 -46.52 89.29 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.43 -0.794 . . . . 0.0 109.676 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -64.23 -28.64 69.87 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.3 tptt -66.63 -64.09 0.93 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.669 -0.645 . . . . 0.0 109.679 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' C' ' 11' ' ' LYS . 38.1 mmtt -43.73 -37.92 2.92 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.237 -0.915 . . . . 0.0 109.817 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.45 HD11 ' HA ' ' C' ' 9' ' ' ALA . 34.9 mt -63.16 -9.9 12.87 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.415 -0.803 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.526 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.2 pp -146.64 46.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.189 -0.944 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.526 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 14.5 mm-40 . . . . . 0 C--N 1.29 -1.989 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.625 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 84.6 m . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.832 0.825 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER 175.88 -32.14 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 9.1 mp -48.18 -59.21 3.58 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.595 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -45.95 -26.74 0.76 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.581 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -91.34 -22.97 20.25 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.187 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -91.7 -46.91 7.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.639 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -73.89 -22.72 59.61 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.896 -1.127 . . . . 0.0 110.082 -179.386 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 1.7 mttt -60.63 -52.67 64.17 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.217 -0.927 . . . . 0.0 109.957 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -68.85 -20.92 64.3 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.319 -0.863 . . . . 0.0 108.881 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -64.99 -64.38 0.88 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.727 -0.608 . . . . 0.0 110.091 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.512 ' HG3' ' N ' ' D' ' 12' ' ' LEU . 0.0 OUTLIER -44.68 -30.68 0.98 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 109.758 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.512 ' N ' ' HG3' ' D' ' 11' ' ' LYS . 14.7 mt -67.13 -10.31 48.89 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.364 -0.835 . . . . 0.0 110.25 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.451 HG13 ' O ' ' D' ' 10' ' ' LYS . 1.4 pp -143.81 44.21 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.604 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 3.8 mm-40 . . . . . 0 C--N 1.288 -2.099 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.774 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' B' ' 1' ' ' CYS . 74.4 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.399 0.619 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 1.9 p90 -112.02 -18.4 12.63 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' NH2' ' B' ' 4' ' ' ARG . 6.1 mp -46.11 -68.29 0.21 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.565 ' HG2' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -43.02 -29.44 0.34 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.565 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 3.6 mpp_? -84.55 -38.94 19.39 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.235 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 -81.44 -48.03 12.42 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 109.196 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -52.07 -46.21 65.06 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 8.8 mtpt -50.78 -22.21 2.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.296 -0.877 . . . . 0.0 109.132 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' D' ' 9' ' ' ALA . . . -93.19 -45.85 7.68 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.1 tptt -46.7 -47.61 20.41 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.709 -0.62 . . . . 0.0 109.647 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -49.01 -28.79 4.22 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.035 -1.041 . . . . 0.0 109.364 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.1 mt -73.19 -9.24 58.51 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.403 -0.81 . . . . 0.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.485 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -140.14 45.2 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.092 -1.005 . . . . 0.0 110.559 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.73 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.433 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 10.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.36 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.8 mp -46.35 -65.51 0.54 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.554 ' NH2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -41.39 -31.22 0.23 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.549 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -81.24 -49.32 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.146 178.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -69.13 -50.44 47.89 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.485 -0.76 . . . . 0.0 109.464 179.133 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.594 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 0.1 OUTLIER -58.74 -39.98 82.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 110.606 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -46.03 -27.43 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.261 -0.899 . . . . 0.0 109.8 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -85.23 -30.51 23.78 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 3.8 tptm -63.77 -64.84 0.79 Allowed 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.231 0.539 . . . . 0.0 109.883 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -44.61 -34.68 2.25 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.309 -0.869 . . . . 0.0 110.054 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 22.1 mt -63.19 -13.67 40.05 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.267 -0.896 . . . . 0.0 110.586 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.49 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -147.18 48.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.021 -1.05 . . . . 0.0 111.306 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 6.0 mm-40 . . . . . 0 C--N 1.292 -1.899 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.583 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . 0.495 ' HB2' ' CD ' ' C' ' 4' ' ' ARG . 12.8 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 122.329 1.061 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.63 ' CG ' ' N ' ' C' ' 3' ' ' LEU . 0.2 OUTLIER 174.8 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.63 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -50.64 -51.02 52.79 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.585 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.1 OUTLIER -48.0 -28.49 2.8 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.415 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.5 OUTLIER -87.1 -25.7 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.78 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.0 OUTLIER -91.2 -45.13 8.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.038 -1.039 . . . . 0.0 110.738 -179.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.585 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -72.1 -26.46 62.15 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.054 -1.029 . . . . 0.0 110.833 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.508 ' HG3' ' N ' ' C' ' 9' ' ' ALA . 0.5 OUTLIER -61.88 -50.2 73.15 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.033 -1.042 . . . . 0.0 109.593 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.508 ' N ' ' HG3' ' C' ' 8' ' ' LYS . . . -65.99 -23.26 66.55 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.812 . . . . 0.0 109.271 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 1.9 tptp -71.47 -64.25 0.96 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.64 -0.663 . . . . 0.0 110.279 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' LYS . 7.0 mmtp -43.72 -32.84 1.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 110.122 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -60.71 -16.19 37.04 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.32 -0.863 . . . . 0.0 110.591 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.5 pp -145.66 44.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.484 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 5.0 mm-40 . . . . . 0 C--N 1.288 -2.081 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.646 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.56 ' O ' ' NE ' ' D' ' 4' ' ' ARG . 35.7 m . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.099 0.476 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.524 ' C ' ' CD1' ' D' ' 2' ' ' TYR . 1.1 p90 -100.53 -24.63 14.42 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -52.85 -34.31 53.73 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -55.79 -18.58 8.81 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER -104.16 -19.19 14.23 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.52 0.676 . . . . 0.0 109.469 178.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.52 ' HB3' ' HA ' ' D' ' 3' ' ' LEU . 1.4 t80 -98.45 -43.84 6.74 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.383 -0.823 . . . . 0.0 110.162 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -66.85 -29.49 69.42 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 120.969 -1.082 . . . . 0.0 109.191 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.28 -47.3 25.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.478 -0.764 . . . . 0.0 109.304 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -76.91 -33.46 57.77 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.309 -0.869 . . . . 0.0 108.735 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 0.6 OUTLIER -51.04 -52.78 39.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.391 -0.818 . . . . 0.0 109.647 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.456 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 2.9 mmtp -42.34 -37.5 1.56 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.422 -0.798 . . . . 0.0 110.153 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 91.5 mt -65.02 -13.69 58.53 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.316 -0.865 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.575 ' CD1' ' N ' ' D' ' 14' ' ' GLU . 2.8 pp -139.48 -37.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 122.436 1.112 . . . . 0.0 111.766 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.575 ' N ' ' CD1' ' D' ' 13' ' ' ILE . 1.3 mt-10 . . . . . 0 C--N 1.269 -2.925 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.265 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.455 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.582 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -130.42 -22.0 2.8 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.04 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 2' ' ' TYR . 8.6 mp -46.87 -41.23 15.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.609 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -61.98 -39.35 91.88 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -85.13 -0.61 55.11 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.476 179.372 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.581 ' CE1' HG12 ' D' ' 13' ' ' ILE . 1.8 t80 -107.1 -53.98 2.54 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.172 -0.955 . . . . 0.0 110.096 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.23 -24.0 64.86 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.018 -1.051 . . . . 0.0 110.118 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -60.65 -56.28 23.21 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 109.809 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.49 ' HB2' ' CB ' ' D' ' 9' ' ' ALA . . . -66.03 -22.01 66.42 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.356 -0.84 . . . . 0.0 109.142 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -67.09 -65.75 0.64 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.557 -0.714 . . . . 0.0 109.85 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -35.81 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.511 0.672 . . . . 0.0 109.975 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.8 mt -67.85 -43.74 78.79 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.412 -0.805 . . . . 0.0 110.615 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' LYS . 1.2 pt -134.53 -6.06 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.006 -1.059 . . . . 0.0 112.64 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.276 -2.6 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.96 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.429 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 122.036 0.922 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -162.24 -39.14 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -42.4 -40.29 2.49 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.373 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -52.78 -45.96 67.39 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.5 OUTLIER -75.33 -14.21 60.47 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.285 178.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.487 ' HB3' ' HA ' ' B' ' 3' ' ' LEU . 15.4 t80 -94.38 -58.32 2.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -62.47 -28.54 69.89 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.067 -1.02 . . . . 0.0 109.93 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 19.5 mtpt -48.92 -52.17 26.09 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.205 -0.934 . . . . 0.0 109.994 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.528 ' CB ' ' HB1' ' C' ' 9' ' ' ALA . . . -61.56 -33.91 74.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -62.44 -64.2 1.0 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.345 -0.847 . . . . 0.0 110.188 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 10' ' ' LYS . 37.0 mmtt -43.78 -35.27 1.82 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.144 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 16.9 mt -65.81 -10.56 38.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.336 -0.853 . . . . 0.0 111.178 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.522 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.5 OUTLIER -146.79 47.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.03 -1.044 . . . . 0.0 110.894 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 18.4 mm-40 . . . . . 0 C--N 1.292 -1.908 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.693 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . 0.498 ' HA ' ' NE ' ' C' ' 4' ' ' ARG . 14.0 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 122.141 0.972 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' C' ' 2' ' ' TYR . 0.2 OUTLIER -169.7 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.59 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.4 OUTLIER -44.53 -47.31 10.17 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.571 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.5 OUTLIER -46.98 -35.14 6.24 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.6 OUTLIER -86.2 -18.55 31.87 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.818 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.3 OUTLIER -95.0 -49.64 5.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.343 -0.848 . . . . 0.0 110.193 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' CD ' ' C' ' 8' ' ' LYS . 0.1 OUTLIER -68.98 -34.25 75.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.025 -1.047 . . . . 0.0 109.634 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.628 ' CD ' ' CZ ' ' C' ' 7' ' ' PHE . 0.4 OUTLIER -44.63 -57.75 3.46 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.564 ' O ' ' CG1' ' C' ' 13' ' ' ILE . . . -58.19 -36.79 73.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.629 -0.669 . . . . 0.0 110.179 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.545 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -59.92 -63.63 1.23 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.258 -0.902 . . . . 0.0 109.728 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -49.28 16.55 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.547 ' CD2' ' HA ' ' C' ' 9' ' ' ALA . 1.0 OUTLIER -65.63 -7.5 15.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.901 -1.125 . . . . 0.0 111.874 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.564 ' CG1' ' O ' ' C' ' 9' ' ' ALA . 1.6 pp -134.97 41.23 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.594 -1.316 . . . . 0.0 111.502 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mm-40 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.525 ' HA ' ' CZ ' ' D' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 122.061 0.934 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.617 ' O ' ' N ' ' D' ' 5' ' ' ARG . 0.3 OUTLIER -147.68 -38.6 0.19 Allowed 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.596 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.569 ' HG ' ' CD1' ' D' ' 6' ' ' PHE . 0.3 OUTLIER -43.04 -46.06 5.45 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.599 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 1.8 mpt_? -46.42 -38.06 8.5 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.1 OUTLIER -84.95 -26.81 26.94 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.241 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -82.11 -43.54 17.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 110.338 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -75.07 -28.96 60.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.085 -1.01 . . . . 0.0 110.282 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' D' ' 9' ' ' ALA . 0.7 OUTLIER -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.176 -0.953 . . . . 0.0 109.683 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.526 ' N ' ' HG3' ' D' ' 8' ' ' LYS . . . -69.3 -22.49 63.79 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.256 -0.903 . . . . 0.0 109.086 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 10.4 tptt -66.75 -64.88 0.76 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.615 -0.678 . . . . 0.0 110.374 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.5 mmtt -43.31 -34.39 1.2 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.852 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 14.3 mt -61.13 -12.39 12.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.453 -0.78 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.581 HG12 ' CE1' ' A' ' 6' ' ' PHE . 1.2 pp -149.44 46.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.187 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.509 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.4 mm-40 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.685 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' NE ' ' A' ' 4' ' ' ARG . 24.4 p . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.657 0.742 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.628 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 2.6 p90 -78.58 -19.69 52.21 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 176.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.628 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 9.8 mp -47.34 -45.55 24.79 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.997 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.602 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -56.98 -15.71 5.51 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 118.689 -1.204 . . . . 0.0 108.491 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -96.8 -22.22 17.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.92 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -97.54 -49.99 4.67 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.901 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.602 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.25 -26.61 65.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.985 . . . . 0.0 109.63 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 1.1 mttt -53.0 -56.59 14.96 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' CB ' ' HB1' ' D' ' 9' ' ' ALA . . . -61.58 -31.64 71.7 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.457 -0.777 . . . . 0.0 109.53 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -69.09 -66.31 0.59 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.47 -0.768 . . . . 0.0 110.368 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -32.37 2.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.95 . . . . 0.0 109.864 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' HG21 ' A' ' 13' ' ' ILE . 56.0 mt -66.54 -9.76 38.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.362 -0.837 . . . . 0.0 110.732 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.502 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -149.05 46.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.121 -0.987 . . . . 0.0 111.014 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 29.0 mm-40 . . . . . 0 C--N 1.29 -1.998 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' CYS . . . . . 0.52 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 22.5 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.525 0.679 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.8 OUTLIER -120.21 -36.27 3.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -43.32 -49.94 6.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.883 0.849 . . . . 0.0 108.736 178.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.579 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -43.83 -32.28 1.03 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.8 OUTLIER -88.57 -24.86 22.75 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.437 179.22 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' B' ' 3' ' ' LEU . 0.4 OUTLIER -89.51 -44.03 10.41 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.24 -0.912 . . . . 0.0 110.679 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.579 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -71.12 -32.75 69.39 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.85 -1.156 . . . . 0.0 110.239 -179.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.0 OUTLIER -56.56 -54.97 39.68 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.16 -0.963 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -65.06 -20.53 66.53 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.258 -0.902 . . . . 0.0 109.346 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -67.18 -66.44 0.56 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 109.749 179.355 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' B' ' 10' ' ' LYS . 5.1 mmtp -34.89 -31.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.385 0.612 . . . . 0.0 110.298 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 10' ' ' LYS . 11.4 mt -66.18 -42.9 88.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 10' ' ' LYS . 1.1 pt -131.97 -8.36 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.928 -1.107 . . . . 0.0 112.448 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.277 -2.573 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.171 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' CYS . . . . . 0.47 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 90.2 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.797 0.808 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' TYR . . . . . 0.61 ' O ' ' HB2' ' C' ' 3' ' ' LEU . 0.2 OUTLIER -159.28 -167.14 1.98 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' C' ' 2' ' ' TYR . 6.0 mp 65.19 -51.35 0.35 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.527 0.679 . . . . 0.0 109.406 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.596 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -67.68 -51.58 48.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.123 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . 0.48 ' HD3' ' HA ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -79.13 5.45 11.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.763 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . 0.629 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -104.2 -57.79 1.98 Allowed 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.305 -0.872 . . . . 0.0 109.811 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' PHE . . . . . 0.629 ' N ' ' CD2' ' C' ' 6' ' ' PHE . 1.1 p90 -70.38 -30.61 67.57 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.874 -1.141 . . . . 0.0 109.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -55.93 -50.31 71.1 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.176 -0.952 . . . . 0.0 110.248 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -67.76 -26.61 66.2 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.421 -0.8 . . . . 0.0 108.993 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -61.61 -65.51 0.68 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.745 -0.597 . . . . 0.0 110.324 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mmtt -41.75 -36.17 0.95 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 0.0 110.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . 0.471 ' O ' HG21 ' C' ' 13' ' ' ILE . 51.4 mt -66.67 -11.53 54.4 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.438 -0.789 . . . . 0.0 111.209 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ILE . . . . . 0.519 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 0.5 OUTLIER -147.15 50.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.095 -1.003 . . . . 0.0 111.119 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.519 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 9.7 mm-40 . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.716 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' CYS . . . . . 0.473 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 80.3 m . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.911 0.862 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER 176.01 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 5.4 mp -47.4 -53.78 13.03 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -49.82 -28.78 6.83 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.363 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . 0.601 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 1.3 ptm180 -95.27 4.97 52.94 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.414 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -114.19 -47.2 2.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.061 -1.024 . . . . 0.0 109.824 179.557 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.3 OUTLIER -75.88 -25.03 55.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.192 -0.943 . . . . 0.0 110.106 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 3.1 mttm -61.03 -52.34 65.39 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.162 -0.961 . . . . 0.0 109.963 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.433 ' HB1' ' CB ' ' A' ' 9' ' ' ALA . . . -70.24 -22.28 62.91 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.314 -0.867 . . . . 0.0 109.304 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -63.0 -60.4 3.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.696 -0.628 . . . . 0.0 110.241 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -32.87 1.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.33 -0.856 . . . . 0.0 110.264 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 26.3 mt -68.98 -8.68 47.01 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.381 -0.824 . . . . 0.0 111.186 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ILE . . . . . 0.534 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -151.04 48.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.933 -1.104 . . . . 0.0 111.096 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' GLU . . . . . 0.534 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.2 mm-40 . . . . . 0 C--N 1.292 -1.904 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.662 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.559 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.418 0.628 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.756 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -115.4 -27.47 7.19 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.756 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.3 mp -44.16 -56.32 4.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -39.85 -38.88 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 2' ' ' TYR . 4.1 mpp_? -80.55 -51.65 8.51 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.69 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.603 ' HA ' ' HB1' ' D' ' 9' ' ' ALA . 4.8 t80 -64.73 -35.94 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.094 -1.003 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -75.72 -47.49 25.84 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 110.626 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -43.17 -27.44 0.22 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.29 -0.881 . . . . 0.0 110.05 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -92.91 -29.61 15.82 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -64.91 -53.65 43.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.697 -0.627 . . . . 0.0 109.706 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -48.9 -26.66 2.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.233 -0.917 . . . . 0.0 109.863 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 17.4 mt -74.98 -10.2 59.25 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.347 -0.845 . . . . 0.0 110.792 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.487 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -144.49 46.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.034 -1.041 . . . . 0.0 110.968 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.974 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.601 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.518 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.385 0.612 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.6 OUTLIER -118.57 -27.67 5.86 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.5 mp -42.65 -54.21 4.11 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.527 ' H ' ' CD ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.21 -43.12 6.98 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.73 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -72.39 -46.39 55.49 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.221 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -69.93 -51.23 34.56 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.189 -0.944 . . . . 0.0 109.744 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.526 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.524 -0.735 . . . . 0.0 111.108 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.2 mtmt -46.23 -25.25 0.58 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.57 ' CB ' ' HB3' ' C' ' 9' ' ' ALA . . . -88.22 -25.33 22.94 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.978 0.894 . . . . 0.0 108.884 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 11.1 tptt -67.56 -64.04 0.94 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.178 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -47.28 -26.94 1.36 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.767 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' B' ' 11' ' ' LYS . 27.0 mt -72.03 -7.85 51.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.397 -0.814 . . . . 0.0 110.928 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.43 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -150.98 49.2 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.925 -1.11 . . . . 0.0 111.105 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.5 mm-40 . . . . . 0 C--N 1.29 -1.99 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.82 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.907 0.861 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.764 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.26 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 2.8 mp -43.61 -44.72 6.44 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -50.32 -43.37 53.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.083 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' C' ' 2' ' ' TYR . 1.5 ptm180 -80.1 -3.75 50.0 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.991 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.561 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -107.6 -51.96 2.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -70.62 -21.36 62.65 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 2.5 mttm -58.62 -51.67 68.94 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.164 -0.96 . . . . 0.0 110.235 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -68.4 -22.69 64.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.224 -0.923 . . . . 0.0 109.14 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 21.7 tptt -65.84 -65.33 0.69 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.607 -0.683 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -34.16 2.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.146 -0.971 . . . . 0.0 110.164 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 8' ' ' LYS . 44.8 mt -66.36 -12.43 56.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.249 -0.907 . . . . 0.0 110.891 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.3 pp -143.6 46.04 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.981 -1.074 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.289 -2.044 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.669 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.773 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.944 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 4.9 mp -42.3 -48.48 5.0 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' D' ' 8' ' ' LYS . 0.1 OUTLIER -48.95 -45.29 41.6 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.567 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -70.76 -30.85 67.47 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.597 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.544 ' N ' ' HG2' ' D' ' 5' ' ' ARG . 1.1 t80 -86.27 -55.84 3.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.263 -0.898 . . . . 0.0 109.934 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' D' ' 10' ' ' LYS . 0.2 OUTLIER -56.67 -32.63 65.6 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.308 -0.87 . . . . 0.0 110.595 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.62 -26.16 1.4 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 6' ' ' PHE . . . -90.22 -23.82 21.15 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.397 -0.815 . . . . 0.0 109.021 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -67.58 -59.5 3.3 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.344 0.592 . . . . 0.0 109.414 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -48.93 -26.44 2.49 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.3 -0.875 . . . . 0.0 109.674 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' D' ' 9' ' ' ALA . 30.2 mt -72.59 -9.4 58.54 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.456 -0.777 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.9 OUTLIER -148.95 47.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.866 -1.146 . . . . 0.0 111.038 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 21.2 mm-40 . . . . . 0 C--N 1.291 -1.95 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.692 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 2' ' ' TYR . 88.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.721 0.772 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.47 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -47.47 -59.88 2.92 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.286 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -45.67 -27.1 0.73 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 177.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.847 ' HD2' HD22 ' B' ' 3' ' ' LEU . 17.9 mtp180 -93.98 -15.75 24.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.559 -0.713 . . . . 0.0 110.667 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.8 t80 -98.54 -45.06 6.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 110.413 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -73.99 -27.22 60.86 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.011 -1.056 . . . . 0.0 110.269 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.66 -51.41 67.33 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.059 -1.026 . . . . 0.0 109.657 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -64.25 -26.58 68.57 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.455 -0.778 . . . . 0.0 110.162 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.377 -0.827 . . . . 0.0 110.45 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 8.6 mptt -45.83 -30.73 1.78 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.227 -0.921 . . . . 0.0 110.076 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 92.7 mt -71.0 -8.77 55.61 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 110.992 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.29 47.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.027 -1.045 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 9.3 mm-40 . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.859 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.565 ' O ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.906 0.384 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.665 ' CE2' HD12 ' B' ' 3' ' ' LEU . 0.9 OUTLIER -90.92 -23.4 20.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.847 HD22 ' HD2' ' A' ' 5' ' ' ARG . 7.7 mp -44.36 -53.1 7.11 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.649 ' HD2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -40.82 -26.38 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.482 -0.761 . . . . 0.0 109.125 178.287 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.649 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 3.0 ptm180 -87.19 -36.26 18.1 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.324 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.558 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -88.06 -48.2 7.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.571 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' B' ' 10' ' ' LYS . 0.4 OUTLIER -43.36 -32.06 0.77 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.716 -0.615 . . . . 0.0 110.193 179.207 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -40.59 -35.0 0.41 Allowed 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.454 -0.779 . . . . 0.0 109.623 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -86.13 -33.7 20.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.402 -0.811 . . . . 0.0 108.876 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -53.74 -47.99 70.09 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.24 -31.77 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.054 -1.029 . . . . 0.0 109.429 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 21.5 mt -72.7 -12.45 61.03 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.398 -0.814 . . . . 0.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 1.018 HD12 ' OH ' ' C' ' 2' ' ' TYR . 0.1 OUTLIER -132.93 45.78 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.119 -0.988 . . . . 0.0 110.419 179.482 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.289 -2.026 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.779 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' CYS . . . . . 0.513 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 23.4 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 122.008 0.908 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 1.018 ' OH ' HD12 ' B' ' 13' ' ' ILE . 0.5 OUTLIER -163.44 -154.0 0.26 Allowed 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.12 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.945 HD12 ' C ' ' C' ' 2' ' ' TYR . 1.8 mp 63.86 -69.57 0.08 Allowed 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -55.13 -51.02 67.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.09 -1.006 . . . . 0.0 109.362 178.131 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.943 ' O ' HG21 ' B' ' 13' ' ' ILE . 4.7 ptm180 -85.3 -1.51 57.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.045 -1.034 . . . . 0.0 109.524 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.838 ' HA ' HD13 ' B' ' 13' ' ' ILE . 57.1 t80 -104.15 -48.22 3.93 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.409 -0.807 . . . . 0.0 110.715 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -70.33 -32.73 70.59 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.952 -1.092 . . . . 0.0 109.658 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -48.02 35.37 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.216 -0.928 . . . . 0.0 110.001 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 9' ' ' ALA . . . -73.64 -23.52 59.89 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.638 ' HA ' HD11 ' C' ' 13' ' ' ILE . 2.9 tptp -62.59 -57.49 10.92 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.548 -0.72 . . . . 0.0 110.058 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -44.99 -31.05 1.15 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.162 -0.961 . . . . 0.0 110.126 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.535 HD23 ' HE2' ' C' ' 11' ' ' LYS . 29.2 mt -72.34 -6.61 44.52 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.296 -0.878 . . . . 0.0 110.627 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.3 pp -142.23 43.65 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 7.8 mm-40 . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.677 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.693 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 7.1 mp -46.29 -59.75 2.74 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.1 -26.24 0.72 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.475 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -88.13 -29.88 20.24 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.002 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.1 OUTLIER -88.19 -49.05 7.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 110.711 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.78 -30.15 68.67 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 120.938 -1.101 . . . . 0.0 110.011 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 10.6 mttt -50.96 -56.15 13.8 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.086 -1.009 . . . . 0.0 109.361 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -56.89 -34.77 68.21 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.1 OUTLIER -59.13 -69.28 0.2 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.496 -0.753 . . . . 0.0 110.182 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 110.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 16.9 mt -66.17 -14.29 61.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.355 -0.841 . . . . 0.0 111.198 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.1 pp -146.21 46.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.951 -1.093 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 29.6 mm-40 . . . . . 0 C--N 1.29 -2.003 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.762 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.542 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.44 0.638 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.738 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -120.12 -25.44 5.74 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.878 179.245 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.1 mp -44.7 -53.89 6.82 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -46.09 -38.75 8.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -77.84 -39.64 42.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.976 -0.453 . . . . 0.0 110.31 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -49.55 14.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.978 -1.076 . . . . 0.0 109.619 179.345 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.27 -40.32 85.69 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 110.831 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -43.93 -27.76 0.39 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.134 -0.979 . . . . 0.0 109.597 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' D' ' 9' ' ' ALA . . . -83.77 -36.17 23.8 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.655 ' HA ' HD11 ' A' ' 13' ' ' ILE . 1.4 tptt -56.08 -61.22 2.53 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.637 -0.665 . . . . 0.0 109.689 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -44.97 -37.32 3.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.438 -0.789 . . . . 0.0 110.475 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 38.4 mt -65.64 -8.16 18.99 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.318 -0.863 . . . . 0.0 111.075 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -142.97 41.57 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.026 . . . . 0.0 110.677 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.286 -2.175 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.786 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.627 0.727 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.673 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -172.38 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.673 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.9 mp -43.23 -61.1 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -37.28 -42.5 0.47 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.1 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.555 ' CZ ' HD13 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -75.61 -55.34 5.75 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.153 179.225 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.607 ' CD1' HG21 ' C' ' 13' ' ' ILE . 1.1 t80 -60.56 -43.13 97.59 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 109.645 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -63.11 -53.95 45.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.546 -0.721 . . . . 0.0 110.533 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.597 ' O ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -49.63 -21.39 1.01 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.305 -0.872 . . . . 0.0 110.05 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -84.21 -32.7 24.39 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.437 -0.79 . . . . 0.0 109.429 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -71.17 -61.92 1.59 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.587 -0.696 . . . . 0.0 110.169 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -47.21 -28.92 2.07 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.098 -1.002 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 8' ' ' LYS . 30.6 mt -67.81 -14.74 63.2 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.29 -0.881 . . . . 0.0 111.128 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.496 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.8 OUTLIER -146.13 46.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 111.131 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 16.2 mm-40 . . . . . 0 C--N 1.291 -1.958 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.606 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' CYS . . . . . 0.486 ' O ' ' HD3' ' C' ' 4' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.303 0.573 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.9 OUTLIER -118.51 -14.17 9.68 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 5.3 mp -53.41 -63.79 1.03 Allowed 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.531 ' HG2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -43.31 -27.36 0.24 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.461 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' C' ' 2' ' ' TYR . 6.1 mtp180 -84.54 -50.45 7.7 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.716 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' C' ' 9' ' ' ALA . 7.0 t80 -68.05 -44.72 75.72 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -54.01 -58.59 6.75 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.545 -0.722 . . . . 0.0 110.183 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -58.8 -13.62 6.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' C' ' 6' ' ' PHE . . . -91.86 -32.69 15.23 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.423 -0.798 . . . . 0.0 109.285 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -68.96 -59.73 2.85 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.628 -0.67 . . . . 0.0 110.451 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -28.93 4.57 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.988 -1.07 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' B' ' 5' ' ' ARG . 12.5 mt -68.97 -15.28 63.44 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.431 -0.793 . . . . 0.0 111.33 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.607 HG21 ' CD1' ' B' ' 6' ' ' PHE . 1.6 pp -147.94 45.81 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.772 -1.205 . . . . 0.0 111.613 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 32.6 mm-40 . . . . . 0 C--N 1.289 -2.039 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.936 ' HB3' HD12 ' D' ' 3' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.209 -1.042 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.936 HD12 ' HB3' ' D' ' 2' ' ' TYR . 6.3 mp 62.3 -64.64 0.09 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.645 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -51.42 -46.58 62.98 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.296 -1.502 . . . . 0.0 109.503 177.811 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.628 ' HD3' ' CD1' ' D' ' 2' ' ' TYR . 3.3 ptm180 -86.31 -18.34 32.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 13' ' ' ILE . 8.8 t80 -93.97 -41.57 9.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.184 -0.947 . . . . 0.0 109.62 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' D' ' 3' ' ' LEU . 0.5 OUTLIER -70.09 -44.13 69.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.661 -0.65 . . . . 0.0 110.638 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -42.47 -35.13 0.97 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.254 -0.904 . . . . 0.0 110.112 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -82.84 -29.01 29.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.328 -0.858 . . . . 0.0 109.113 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 12.2 tptt -64.61 -57.63 8.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.705 -0.622 . . . . 0.0 110.148 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -35.11 3.98 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.198 -0.939 . . . . 0.0 109.934 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 12' ' ' LEU . 12.1 mt -64.52 -8.5 14.08 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.305 -0.872 . . . . 0.0 110.483 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.7 OUTLIER -148.89 46.58 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.132 -0.98 . . . . 0.0 111.119 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.291 -1.953 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.706 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 20.0 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.004 0.907 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -178.31 -32.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.9 mp -47.57 -36.48 10.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.635 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -58.36 -42.02 86.0 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.094 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HD2' ' HA ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -77.44 -8.2 57.36 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.506 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -100.6 -55.77 2.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.073 -1.017 . . . . 0.0 110.655 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.635 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.46 -19.41 64.56 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.428 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 7.2 mtmm -62.22 -55.1 31.85 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.134 -0.979 . . . . 0.0 109.987 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -69.92 -17.26 63.32 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.467 -0.771 . . . . 0.0 109.563 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -68.46 -57.8 5.28 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.555 -0.715 . . . . 0.0 110.714 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -46.71 -32.89 3.87 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.018 -1.051 . . . . 0.0 109.567 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 9' ' ' ALA . 36.9 mt -63.81 -11.7 29.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.448 -0.782 . . . . 0.0 110.459 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.739 HG21 ' CD1' ' D' ' 6' ' ' PHE . 1.3 pp -144.08 43.88 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 5.5 mm-40 . . . . . 0 C--N 1.288 -2.097 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.577 ' O ' ' CD2' ' B' ' 2' ' ' TYR . 30.3 p . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.603 0.716 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.619 ' O ' ' CD1' ' B' ' 2' ' ' TYR . 0.0 OUTLIER 82.76 -14.69 0.73 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 6' ' ' PHE . 6.2 mt -76.76 -38.24 54.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -49.39 -27.44 4.07 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 176.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.544 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -90.2 -27.51 19.49 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.366 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.762 ' HB3' HD23 ' B' ' 3' ' ' LEU . 85.9 t80 -77.46 -54.95 5.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.628 -0.67 . . . . 0.0 110.892 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.2 OUTLIER -62.3 -40.69 97.11 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.065 -1.022 . . . . 0.0 110.162 -179.355 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' B' ' 7' ' ' PHE . 0.1 OUTLIER -43.47 -51.65 6.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.169 -0.957 . . . . 0.0 109.558 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.819 ' HA ' HD23 ' B' ' 12' ' ' LEU . . . -70.25 -47.32 61.86 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 1.5 tptm -39.76 -47.79 2.12 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.593 -0.692 . . . . 0.0 109.676 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -32.57 7.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 110.463 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' B' ' 9' ' ' ALA . 1.3 pp -74.68 -7.01 51.91 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.045 -1.034 . . . . 0.0 110.679 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 1.035 HD13 ' HA ' ' C' ' 6' ' ' PHE . 0.4 OUTLIER -139.97 45.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.977 . . . . 0.0 110.93 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.293 -1.862 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.682 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' CYS . . . . . 0.496 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 18.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.562 0.696 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' C' ' 3' ' ' LEU . 1.0 OUTLIER -159.64 -152.52 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.15 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.813 ' N ' HD12 ' C' ' 3' ' ' LEU . 6.7 mp 58.37 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -45.49 -53.46 8.86 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.955 -1.09 . . . . 0.0 109.639 179.114 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.93 ' O ' HG21 ' B' ' 13' ' ' ILE . 7.8 ptm180 -81.29 -21.4 39.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 1.035 ' HA ' HD13 ' B' ' 13' ' ' ILE . 3.5 t80 -87.07 -52.07 5.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.398 -0.814 . . . . 0.0 109.908 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -57.26 -42.74 82.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.391 -0.818 . . . . 0.0 109.446 179.054 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -30.36 1.48 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.743 0.782 . . . . 0.0 109.056 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -88.11 -39.01 14.91 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' C' ' 13' ' ' ILE . 5.4 tptm -52.54 -47.94 66.43 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.385 -0.822 . . . . 0.0 109.622 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 2.4 mmtt -46.12 -37.38 6.83 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.13 -0.981 . . . . 0.0 109.311 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 18.7 mt -62.36 -11.95 18.44 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.376 -0.827 . . . . 0.0 110.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.7 pp -138.05 42.79 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.116 -0.99 . . . . 0.0 110.684 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.6 mm-40 . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.787 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.676 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' D' ' 2' ' ' TYR . 8.5 mp -46.99 -57.01 5.44 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -52.74 -19.4 2.41 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.465 179.23 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.549 ' HD3' ' HB2' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -91.67 -16.91 26.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 110.341 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.739 ' CD1' HG21 ' A' ' 13' ' ' ILE . 6.2 t80 -101.29 -51.76 3.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.259 -0.9 . . . . 0.0 110.26 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.9 -23.0 64.14 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.11 -0.994 . . . . 0.0 110.014 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -54.46 -49.99 68.77 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.182 -0.949 . . . . 0.0 110.299 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.579 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -70.06 -22.86 63.03 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.276 -0.89 . . . . 0.0 109.229 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 5.6 tptm -73.37 -65.26 0.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 110.324 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.9 mmtt -44.76 -29.7 0.82 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.953 . . . . 0.0 109.801 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.76 -8.54 48.98 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.381 -0.825 . . . . 0.0 110.725 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.479 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.2 pp -149.28 47.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.145 -0.972 . . . . 0.0 111.042 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.479 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 4.1 mm-40 . . . . . 0 C--N 1.29 -2.012 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.711 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.575 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.342 0.591 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.668 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -110.24 -25.18 10.28 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.847 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.668 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 9.5 mp -44.32 -57.99 3.18 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -41.94 -37.62 1.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.549 ' NH1' HD13 ' D' ' 12' ' ' LEU . 0.0 OUTLIER -79.97 -40.56 27.77 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.225 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -47.33 22.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 0.0 109.485 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -63.5 -40.87 98.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.46 -0.775 . . . . 0.0 110.791 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 9.9 mtpt -46.59 -25.38 0.69 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.232 -0.917 . . . . 0.0 110.204 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -91.86 -27.6 17.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.414 -0.804 . . . . 0.0 109.194 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -67.82 -55.64 12.2 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.654 -0.653 . . . . 0.0 110.224 179.579 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.39 4.21 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 110.063 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 12' ' ' LEU . 31.7 mt -72.56 -7.27 49.26 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.287 -0.883 . . . . 0.0 110.765 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.615 HG21 ' CD1' ' D' ' 6' ' ' PHE . 0.9 OUTLIER -147.38 46.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 . . . . . 0 C--N 1.29 -1.979 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.69 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 71.9 m . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.606 0.717 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.642 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.95 -30.34 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.447 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.642 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 5.3 mp -46.04 -68.09 0.23 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.557 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -43.13 -28.17 0.27 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.557 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 7.0 mtp180 -85.64 -42.85 13.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.302 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 5.0 t80 -73.65 -45.82 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.333 -0.854 . . . . 0.0 109.321 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.83 -54.1 50.34 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.698 -0.626 . . . . 0.0 110.456 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 2.4 mtmt -54.58 -17.27 3.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' B' ' 6' ' ' PHE . . . -86.79 -34.75 19.47 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.396 -0.815 . . . . 0.0 109.421 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -68.15 -60.95 2.09 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -51.42 -19.38 1.35 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 110.358 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.778 ' O ' HG23 ' B' ' 13' ' ' ILE . 28.1 mt -86.02 -1.37 57.28 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.131 -0.981 . . . . 0.0 111.392 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.778 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.6 OUTLIER -161.79 47.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.846 -1.158 . . . . 0.0 111.205 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 38.5 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.662 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.395 0.617 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.713 ' HB3' HD13 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -149.88 -151.17 0.38 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' C' ' 2' ' ' TYR . 0.1 OUTLIER 60.21 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.643 ' HD2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -54.9 -37.43 66.32 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.935 . . . . 0.0 108.965 178.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.659 ' HD3' ' CE1' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -81.28 -28.19 34.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 0.0 109.099 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' B' ' 13' ' ' ILE . 2.5 t80 -85.21 -56.48 3.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.57 -0.706 . . . . 0.0 110.755 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.625 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -64.76 -20.7 66.51 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.116 -0.99 . . . . 0.0 110.458 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.8 OUTLIER -59.96 -52.17 66.54 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.985 -1.072 . . . . 0.0 109.83 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -67.84 -21.53 65.18 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.347 -0.846 . . . . 0.0 109.297 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.488 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -64.37 0.89 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.62 -0.675 . . . . 0.0 110.244 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' C' ' 10' ' ' LYS . 0.1 OUTLIER -42.8 -28.25 0.23 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.256 -0.902 . . . . 0.0 109.689 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 30.5 mt -68.95 -12.85 62.04 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.415 -0.803 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.495 HD13 ' CE1' ' B' ' 6' ' ' PHE . 0.8 OUTLIER -145.6 47.46 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.991 -1.068 . . . . 0.0 111.193 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.488 ' HG3' ' C ' ' C' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.29 -2.009 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.622 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.558 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.498 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 5.9 mp -47.61 -60.56 2.46 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.652 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.96 -25.57 0.82 Allowed 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.341 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -88.93 -28.67 20.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 110.311 179.263 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -84.68 -47.8 10.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.73 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.652 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -74.36 -26.39 60.1 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.058 -1.027 . . . . 0.0 110.569 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 7.8 mttt -62.43 -47.68 83.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.058 -1.026 . . . . 0.0 109.68 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -68.3 -26.5 65.66 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.431 -0.793 . . . . 0.0 108.945 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 2.7 tptp -61.32 -63.4 1.3 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.714 -0.616 . . . . 0.0 109.763 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 11' ' ' LYS . . . . . 0.464 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 1.4 mmtm -38.99 -33.28 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.645 -0.66 . . . . 0.0 110.537 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.549 HD13 ' NH1' ' A' ' 5' ' ' ARG . 13.4 mt -67.32 -17.2 64.67 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 0.0 110.941 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.456 HD12 ' O ' ' D' ' 14' ' ' GLU . 1.9 pp -146.59 -32.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 122.207 1.003 . . . . 0.0 111.982 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' D' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.271 -2.82 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.17 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.561 ' HB2' ' CD ' ' A' ' 4' ' ' ARG . 16.8 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.999 0.904 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 174.67 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.644 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -49.41 -50.02 42.34 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.011 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.561 ' CD ' ' HB2' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -51.69 -35.36 42.44 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.56 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.98 -44.27 85.39 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.769 178.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.76 -49.98 54.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.249 -0.907 . . . . 0.0 108.966 179.258 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 m-85 -53.14 -38.3 62.58 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.469 -0.77 . . . . 0.0 110.347 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.6 mtpp -50.71 -19.7 1.02 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.272 -0.893 . . . . 0.0 109.908 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.876 ' HB2' ' HB1' ' D' ' 9' ' ' ALA . . . -97.41 -22.2 16.74 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 10.6 tptt -72.74 -55.61 6.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.833 -0.542 . . . . 0.0 109.945 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -48.26 -26.12 1.84 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.3 -0.875 . . . . 0.0 109.841 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mt -69.32 -16.33 63.53 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.491 -0.756 . . . . 0.0 110.905 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -146.42 48.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 111.295 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 12.9 mm-40 . . . . . 0 C--N 1.291 -1.938 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.638 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.505 ' O ' ' HD3' ' B' ' 4' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.491 0.662 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.702 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -114.85 -23.55 9.09 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.702 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 6.9 mp -46.15 -61.49 1.74 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.532 ' HB3' ' CZ ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.58 -27.02 0.42 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.332 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -85.18 -37.13 20.52 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.788 178.722 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.55 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 6.2 t80 -83.63 -49.73 8.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.397 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.53 ' HA ' ' HB2' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -55.81 -41.35 74.06 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER -48.9 -23.8 1.24 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.441 179.334 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.592 ' HB2' ' CB ' ' C' ' 9' ' ' ALA . . . -89.68 -25.36 21.26 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.628 ' HE2' HD11 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.22 -61.6 1.93 Allowed 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.321 0.581 . . . . 0.0 109.952 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -46.94 -34.23 5.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' HG3' ' C' ' 5' ' ' ARG . 29.6 mt -70.58 -5.29 28.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.399 -0.813 . . . . 0.0 110.818 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.628 HD11 ' HE2' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -146.1 46.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.025 -1.047 . . . . 0.0 110.862 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.293 -1.855 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.691 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.959 0.885 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.749 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.32 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.749 HD12 ' CE2' ' C' ' 2' ' ' TYR . 7.2 mp -45.9 -31.27 2.07 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -63.18 -47.43 82.67 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -71.71 -14.41 62.02 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.982 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' C' ' 6' ' ' PHE . 0.2 OUTLIER -92.29 -62.97 1.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.303 -0.873 . . . . 0.0 110.631 -179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -62.34 -23.83 66.99 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.971 -1.081 . . . . 0.0 110.475 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 6.4 mttt -56.34 -53.65 54.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.013 -1.054 . . . . 0.0 109.328 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.592 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -58.0 -30.78 66.35 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.532 -0.73 . . . . 0.0 109.76 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.1 OUTLIER -64.4 -66.53 0.53 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.452 -0.78 . . . . 0.0 110.159 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 10' ' ' LYS . 6.3 mmpt? -43.59 -34.25 1.38 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.292 -0.88 . . . . 0.0 109.875 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 27.1 mt -63.15 -12.42 27.55 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.493 -0.754 . . . . 0.0 110.652 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.1 pp -144.54 44.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.041 -1.037 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 13.7 mm-40 . . . . . 0 C--N 1.29 -2.017 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CG ' ' N ' ' D' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.208 -1.114 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.638 ' N ' ' CG ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -49.27 -51.95 30.42 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.636 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.61 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -46.67 -29.17 1.74 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.624 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.58 ' CD ' ' HA ' ' D' ' 2' ' ' TYR . 0.2 OUTLIER -90.47 -29.75 17.75 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.212 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -84.09 -44.32 14.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.416 -0.803 . . . . 0.0 110.659 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -69.73 -38.76 76.99 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 -179.198 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.6 OUTLIER -54.34 -54.88 34.48 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.124 -0.985 . . . . 0.0 110.451 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.876 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -65.35 -19.16 65.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -71.41 -66.15 0.66 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.509 -0.744 . . . . 0.0 110.318 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 11' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' D' ' 10' ' ' LYS . 0.8 OUTLIER -44.34 -29.57 0.69 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.149 -0.97 . . . . 0.0 109.772 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' D' ' 9' ' ' ALA . 47.7 mt -67.62 -15.33 63.59 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.356 -0.84 . . . . 0.0 110.99 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.53 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -150.23 49.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.952 -1.092 . . . . 0.0 111.284 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 22.3 mm-40 . . . . . 0 C--N 1.293 -1.878 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.665 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' B' ' 1' ' ' CYS . 5.5 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.161 0.505 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.72 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -163.5 -99.71 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 4' ' ' ARG . 1.8 pp -54.06 -47.87 71.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.514 -1.274 . . . . 0.0 109.277 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -53.58 -39.71 65.04 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.624 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.06 -26.87 40.58 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.239 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -96.46 -45.01 6.93 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -62.03 -27.13 68.67 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.647 -0.658 . . . . 0.0 110.641 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 1.7 ttpt -60.69 -14.5 21.25 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.094 -1.004 . . . . 0.0 109.36 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.98 -30.9 13.88 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.69 0.757 . . . . 0.0 109.431 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -69.01 -52.47 28.44 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.612 -0.68 . . . . 0.0 109.944 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -32.87 8.34 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.764 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.524 HD13 HH21 ' D' ' 5' ' ' ARG . 40.4 mt -63.31 -14.61 51.65 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.507 -0.746 . . . . 0.0 110.888 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -142.54 44.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.97 . . . . 0.0 110.959 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 27.4 mm-40 . . . . . 0 C--N 1.29 -1.984 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.752 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.58 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 2.1 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.493 0.664 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.786 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.7 OUTLIER -115.94 -27.26 7.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.693 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.786 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 8.1 mp -43.58 -54.65 4.79 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.58 ' NE ' ' HA ' ' B' ' 1' ' ' CYS . 0.3 OUTLIER -42.48 -39.89 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -74.89 -44.08 50.82 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.065 179.042 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.466 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -74.71 -50.43 17.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 0.0 109.951 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.587 ' CE1' ' HE3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -58.52 -40.5 83.08 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.344 -0.848 . . . . 0.0 110.485 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -42.11 -27.05 0.11 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.423 -0.798 . . . . 0.0 110.245 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -87.65 -32.72 19.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.336 -0.852 . . . . 0.0 109.408 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.587 ' HE3' ' CE1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -72.99 -54.72 7.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.905 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -27.75 12.74 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.206 -0.934 . . . . 0.0 109.544 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 13' ' ' ILE . 22.2 mt -74.86 -2.86 28.72 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.462 -0.774 . . . . 0.0 110.939 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.505 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 1.2 pp -151.02 45.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.01 -1.056 . . . . 0.0 111.328 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 8.8 mm-40 . . . . . 0 C--N 1.289 -2.045 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.704 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 1' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 2' ' ' TYR . 16.4 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.931 0.872 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.652 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER 176.12 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.314 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.652 HD12 ' CE2' ' C' ' 2' ' ' TYR . 8.9 mp -47.24 -47.66 24.64 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -61.9 -22.84 65.91 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.492 179.008 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -99.97 3.97 44.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.931 -1.106 . . . . 0.0 110.309 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -111.14 -47.95 3.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.582 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' C' ' 6' ' ' PHE . 0.3 OUTLIER -74.96 -32.32 61.7 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -61.73 -46.52 89.29 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.43 -0.794 . . . . 0.0 109.676 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -64.23 -28.64 69.87 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.3 tptt -66.63 -64.09 0.93 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.669 -0.645 . . . . 0.0 109.679 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' C' ' 10' ' ' LYS . 38.1 mmtt -43.73 -37.92 2.92 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.237 -0.915 . . . . 0.0 109.817 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' C' ' 9' ' ' ALA . 34.9 mt -63.16 -9.9 12.87 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.415 -0.803 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.514 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.2 pp -146.64 46.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.189 -0.944 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 14.5 mm-40 . . . . . 0 C--N 1.29 -1.989 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.625 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.671 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.671 HD12 ' CE2' ' D' ' 2' ' ' TYR . 9.1 mp -48.18 -59.21 3.58 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -45.95 -26.74 0.76 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.347 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.581 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -91.34 -22.97 20.25 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.187 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -91.7 -46.91 7.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.639 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -73.89 -22.72 59.61 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.896 -1.127 . . . . 0.0 110.082 -179.386 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 1.7 mttt -60.63 -52.67 64.17 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.217 -0.927 . . . . 0.0 109.957 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -68.85 -20.92 64.3 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.319 -0.863 . . . . 0.0 108.881 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -64.99 -64.38 0.88 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.727 -0.608 . . . . 0.0 110.091 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 11' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' D' ' 12' ' ' LEU . 0.0 OUTLIER -44.68 -30.68 0.98 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 109.758 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' D' ' 11' ' ' LYS . 14.7 mt -67.13 -10.31 48.89 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.364 -0.835 . . . . 0.0 110.25 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.455 HG13 ' O ' ' D' ' 10' ' ' LYS . 1.4 pp -143.81 44.21 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.604 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 3.8 mm-40 . . . . . 0 C--N 1.288 -2.099 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.774 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 74.4 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.399 0.619 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.661 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 1.9 p90 -112.02 -18.4 12.63 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.661 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 6.1 mp -46.11 -68.29 0.21 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.566 ' HG2' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -43.02 -29.44 0.34 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.566 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 3.6 mpp_? -84.55 -38.94 19.39 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.235 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 -81.44 -48.03 12.42 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 109.196 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -52.07 -46.21 65.06 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 8.8 mtpt -50.78 -22.21 2.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.296 -0.877 . . . . 0.0 109.132 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 9' ' ' ALA . . . -93.19 -45.85 7.68 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.1 tptt -46.7 -47.61 20.41 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.709 -0.62 . . . . 0.0 109.647 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -49.01 -28.79 4.22 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.035 -1.041 . . . . 0.0 109.364 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.1 mt -73.19 -9.24 58.51 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.403 -0.81 . . . . 0.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HD2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -140.14 45.2 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.092 -1.005 . . . . 0.0 110.559 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.73 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 10.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.36 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.8 mp -46.35 -65.51 0.54 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -41.39 -31.22 0.23 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -81.24 -49.32 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.146 178.44 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -69.13 -50.44 47.89 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.485 -0.76 . . . . 0.0 109.464 179.133 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.594 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 0.1 OUTLIER -58.74 -39.98 82.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 110.606 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -46.03 -27.43 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.261 -0.899 . . . . 0.0 109.8 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.559 ' CB ' ' HB1' ' C' ' 9' ' ' ALA . . . -85.23 -30.51 23.78 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 3.8 tptm -63.77 -64.84 0.79 Allowed 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.231 0.539 . . . . 0.0 109.883 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -44.61 -34.68 2.25 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.309 -0.869 . . . . 0.0 110.054 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' B' ' 12' ' ' LEU . 22.1 mt -63.19 -13.67 40.05 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.267 -0.896 . . . . 0.0 110.586 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -147.18 48.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.021 -1.05 . . . . 0.0 111.306 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 6.0 mm-40 . . . . . 0 C--N 1.292 -1.899 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.583 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 1' ' ' CYS . . . . . 0.518 ' HB2' ' HD3' ' C' ' 4' ' ' ARG . 12.8 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 122.329 1.061 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.63 ' CG ' ' N ' ' C' ' 3' ' ' LEU . 0.2 OUTLIER 174.8 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.63 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -50.64 -51.02 52.79 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.1 OUTLIER -48.0 -28.49 2.8 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.415 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.5 OUTLIER -87.1 -25.7 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.78 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.0 OUTLIER -91.2 -45.13 8.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.038 -1.039 . . . . 0.0 110.738 -179.365 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -72.1 -26.46 62.15 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.054 -1.029 . . . . 0.0 110.833 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' C' ' 4' ' ' ARG . 0.5 OUTLIER -61.88 -50.2 73.15 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.033 -1.042 . . . . 0.0 109.593 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -65.99 -23.26 66.55 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.812 . . . . 0.0 109.271 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 1.9 tptp -71.47 -64.25 0.96 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.64 -0.663 . . . . 0.0 110.279 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' LYS . 7.0 mmtp -43.72 -32.84 1.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 110.122 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' C' ' 9' ' ' ALA . 36.6 mt -60.71 -16.19 37.04 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.32 -0.863 . . . . 0.0 110.591 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.502 HD13 ' HE2' ' B' ' 6' ' ' PHE . 1.5 pp -145.66 44.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.474 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 5.0 mm-40 . . . . . 0 C--N 1.288 -2.081 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.646 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.579 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 1.1 p90 . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 1.031 HD23 ' HB3' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -52.85 -34.31 53.73 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.457 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.623 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -55.79 -18.58 8.81 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.688 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER -104.16 -19.19 14.23 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.52 0.676 . . . . 0.0 109.469 178.813 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.562 ' HB3' ' HA ' ' D' ' 3' ' ' LEU . 1.4 t80 -98.45 -43.84 6.74 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.383 -0.823 . . . . 0.0 110.162 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 1.031 ' HB3' HD23 ' D' ' 3' ' ' LEU . 0.1 OUTLIER -66.85 -29.49 69.42 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 120.969 -1.082 . . . . 0.0 109.191 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.28 -47.3 25.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.478 -0.764 . . . . 0.0 109.304 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 9' ' ' ALA . . . -76.91 -33.46 57.77 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.309 -0.869 . . . . 0.0 108.735 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' D' ' 7' ' ' PHE . 0.6 OUTLIER -51.04 -52.78 39.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.391 -0.818 . . . . 0.0 109.647 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 11' ' ' LYS . . . . . 0.488 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 2.9 mmtp -42.34 -37.5 1.56 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.422 -0.798 . . . . 0.0 110.153 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 91.5 mt -65.02 -13.69 58.53 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.316 -0.865 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.959 HD12 ' N ' ' D' ' 14' ' ' GLU . 2.8 pp -139.48 -37.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 122.436 1.112 . . . . 0.0 111.766 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.959 ' N ' HD12 ' D' ' 13' ' ' ILE . 1.3 mt-10 . . . . . 0 C--N 1.269 -2.925 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.265 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.489 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.603 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -130.42 -22.0 2.8 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.04 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.603 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.6 mp -46.87 -41.23 15.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.626 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -61.98 -39.35 91.88 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -85.13 -0.61 55.11 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.476 179.372 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' D' ' 13' ' ' ILE . 1.8 t80 -107.1 -53.98 2.54 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.172 -0.955 . . . . 0.0 110.096 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.23 -24.0 64.86 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.018 -1.051 . . . . 0.0 110.118 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -60.65 -56.28 23.21 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 109.809 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -66.03 -22.01 66.42 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.356 -0.84 . . . . 0.0 109.142 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -67.09 -65.75 0.64 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.557 -0.714 . . . . 0.0 109.85 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -35.81 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.511 0.672 . . . . 0.0 109.975 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.8 mt -67.85 -43.74 78.79 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.412 -0.805 . . . . 0.0 110.615 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' D' ' 6' ' ' PHE . 1.2 pt -134.53 -6.06 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.006 -1.059 . . . . 0.0 112.64 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.276 -2.6 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.96 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.439 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 122.036 0.922 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -162.24 -39.14 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 6' ' ' PHE . 0.3 OUTLIER -42.4 -40.29 2.49 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.373 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -52.78 -45.96 67.39 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.731 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.5 OUTLIER -75.33 -14.21 60.47 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.285 178.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.59 ' HB3' ' HA ' ' B' ' 3' ' ' LEU . 15.4 t80 -94.38 -58.32 2.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.628 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -62.47 -28.54 69.89 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.067 -1.02 . . . . 0.0 109.93 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' B' ' 4' ' ' ARG . 19.5 mtpt -48.92 -52.17 26.09 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.205 -0.934 . . . . 0.0 109.994 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -61.56 -33.91 74.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -62.44 -64.2 1.0 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.345 -0.847 . . . . 0.0 110.188 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 10' ' ' LYS . 37.0 mmtt -43.78 -35.27 1.82 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.144 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 12' ' ' LEU . 16.9 mt -65.81 -10.56 38.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.336 -0.853 . . . . 0.0 111.178 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.515 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.5 OUTLIER -146.79 47.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.03 -1.044 . . . . 0.0 110.894 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 18.4 mm-40 . . . . . 0 C--N 1.292 -1.908 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.693 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 1' ' ' CYS . . . . . 0.505 ' HA ' ' NE ' ' C' ' 4' ' ' ARG . 14.0 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 122.141 0.972 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' C' ' 2' ' ' TYR . 0.2 OUTLIER -169.7 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.59 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.4 OUTLIER -44.53 -47.31 10.17 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.5 OUTLIER -46.98 -35.14 6.24 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.458 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.6 OUTLIER -86.2 -18.55 31.87 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.818 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.3 OUTLIER -95.0 -49.64 5.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.343 -0.848 . . . . 0.0 110.193 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' CD ' ' C' ' 8' ' ' LYS . 0.1 OUTLIER -68.98 -34.25 75.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.025 -1.047 . . . . 0.0 109.634 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.628 ' CD ' ' CZ ' ' C' ' 7' ' ' PHE . 0.4 OUTLIER -44.63 -57.75 3.46 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.752 ' HA ' HD21 ' C' ' 12' ' ' LEU . . . -58.19 -36.79 73.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.629 -0.669 . . . . 0.0 110.179 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.545 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -59.92 -63.63 1.23 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.258 -0.902 . . . . 0.0 109.728 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -49.28 16.55 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 1.069 HD12 HG23 ' C' ' 13' ' ' ILE . 1.0 OUTLIER -65.63 -7.5 15.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.901 -1.125 . . . . 0.0 111.874 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 1.069 HG23 HD12 ' C' ' 12' ' ' LEU . 1.6 pp -134.97 41.23 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.594 -1.316 . . . . 0.0 111.502 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mm-40 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.617 ' O ' ' N ' ' D' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.208 -1.126 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' D' ' 6' ' ' PHE . 0.3 OUTLIER -43.04 -46.06 5.45 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.001 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.62 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 1.8 mpt_? -46.42 -38.06 8.5 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.1 OUTLIER -84.95 -26.81 26.94 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.241 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -82.11 -43.54 17.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 110.338 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -75.07 -28.96 60.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.085 -1.01 . . . . 0.0 110.282 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' D' ' 4' ' ' ARG . 0.7 OUTLIER -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.176 -0.953 . . . . 0.0 109.683 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' D' ' 8' ' ' LYS . . . -69.3 -22.49 63.79 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.256 -0.903 . . . . 0.0 109.086 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.474 ' C ' ' HG3' ' D' ' 14' ' ' GLU . 10.4 tptt -66.75 -64.88 0.76 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.615 -0.678 . . . . 0.0 110.374 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.5 mmtt -43.31 -34.39 1.2 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.852 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 14.3 mt -61.13 -12.39 12.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.453 -0.78 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.731 HG21 ' CE1' ' A' ' 6' ' ' PHE . 1.2 pp -149.44 46.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.187 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.4 mm-40 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.685 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' NE ' ' A' ' 4' ' ' ARG . 24.4 p . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.657 0.742 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.683 ' CE2' HD12 ' A' ' 3' ' ' LEU . 2.6 p90 -78.58 -19.69 52.21 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 176.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.683 HD12 ' CE2' ' A' ' 2' ' ' TYR . 9.8 mp -47.34 -45.55 24.79 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.997 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -56.98 -15.71 5.51 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 118.689 -1.204 . . . . 0.0 108.491 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -96.8 -22.22 17.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.92 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -97.54 -49.99 4.67 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.901 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.25 -26.61 65.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.985 . . . . 0.0 109.63 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 1.1 mttt -53.0 -56.59 14.96 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' D' ' 9' ' ' ALA . . . -61.58 -31.64 71.7 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.457 -0.777 . . . . 0.0 109.53 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -69.09 -66.31 0.59 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.47 -0.768 . . . . 0.0 110.368 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -32.37 2.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.95 . . . . 0.0 109.864 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' ALA . 56.0 mt -66.54 -9.76 38.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.362 -0.837 . . . . 0.0 110.732 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -149.05 46.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.121 -0.987 . . . . 0.0 111.014 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 29.0 mm-40 . . . . . 0 C--N 1.29 -1.998 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' CYS . . . . . 0.558 ' HA ' ' CD ' ' B' ' 4' ' ' ARG . 22.5 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.525 0.679 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.8 OUTLIER -120.21 -36.27 3.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.318 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -43.32 -49.94 6.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.883 0.849 . . . . 0.0 108.736 178.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -43.83 -32.28 1.03 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.8 OUTLIER -88.57 -24.86 22.75 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.437 179.22 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PHE . . . . . 0.596 ' CD1' HG21 ' C' ' 13' ' ' ILE . 0.4 OUTLIER -89.51 -44.03 10.41 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.24 -0.912 . . . . 0.0 110.679 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -71.12 -32.75 69.39 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.85 -1.156 . . . . 0.0 110.239 -179.423 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.0 OUTLIER -56.56 -54.97 39.68 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.16 -0.963 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -65.06 -20.53 66.53 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.258 -0.902 . . . . 0.0 109.346 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -67.18 -66.44 0.56 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 109.749 179.355 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' B' ' 10' ' ' LYS . 5.1 mmtp -34.89 -31.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.385 0.612 . . . . 0.0 110.298 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 10' ' ' LYS . 11.4 mt -66.18 -42.9 88.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 10' ' ' LYS . 1.1 pt -131.97 -8.36 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.928 -1.107 . . . . 0.0 112.448 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.277 -2.573 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.171 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 1' ' ' CYS . . . . . 0.487 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 90.2 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.797 0.808 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' TYR . . . . . 0.955 ' HB3' HD12 ' C' ' 3' ' ' LEU . 0.2 OUTLIER -159.28 -167.14 1.98 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.955 HD12 ' HB3' ' C' ' 2' ' ' TYR . 6.0 mp 65.19 -51.35 0.35 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.527 0.679 . . . . 0.0 109.406 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -67.68 -51.58 48.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.123 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' C' ' 1' ' ' CYS . 0.9 OUTLIER -79.13 5.45 11.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.763 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 6' ' ' PHE . . . . . 0.629 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -104.2 -57.79 1.98 Allowed 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.305 -0.872 . . . . 0.0 109.811 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 7' ' ' PHE . . . . . 0.629 ' N ' ' CD2' ' C' ' 6' ' ' PHE . 1.1 p90 -70.38 -30.61 67.57 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.874 -1.141 . . . . 0.0 109.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -55.93 -50.31 71.1 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.176 -0.952 . . . . 0.0 110.248 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -67.76 -26.61 66.2 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.421 -0.8 . . . . 0.0 108.993 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -61.61 -65.51 0.68 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.745 -0.597 . . . . 0.0 110.324 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mmtt -41.75 -36.17 0.95 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 0.0 110.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 12' ' ' LEU . 51.4 mt -66.67 -11.53 54.4 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.438 -0.789 . . . . 0.0 111.209 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ILE . . . . . 0.596 HG21 ' CD1' ' B' ' 6' ' ' PHE . 0.5 OUTLIER -147.15 50.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.095 -1.003 . . . . 0.0 111.119 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 9.7 mm-40 . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.716 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 5.4 mp -47.4 -53.78 13.03 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 4' ' ' ARG . . . . . 0.605 ' HG2' ' N ' ' D' ' 5' ' ' ARG . 0.0 OUTLIER -49.82 -28.78 6.83 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.363 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.605 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 1.3 ptm180 -95.27 4.97 52.94 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.414 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -114.19 -47.2 2.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.061 -1.024 . . . . 0.0 109.824 179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 7' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.3 OUTLIER -75.88 -25.03 55.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.192 -0.943 . . . . 0.0 110.106 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 3.1 mttm -61.03 -52.34 65.39 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.162 -0.961 . . . . 0.0 109.963 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -70.24 -22.28 62.91 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.314 -0.867 . . . . 0.0 109.304 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -63.0 -60.4 3.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.696 -0.628 . . . . 0.0 110.241 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -32.87 1.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.33 -0.856 . . . . 0.0 110.264 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 12' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' D' ' 12' ' ' LEU . 26.3 mt -68.98 -8.68 47.01 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.381 -0.824 . . . . 0.0 111.186 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ILE . . . . . 0.525 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -151.04 48.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.933 -1.104 . . . . 0.0 111.096 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.292 -1.904 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.662 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.418 0.628 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.756 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -115.4 -27.47 7.19 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.756 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.3 mp -44.16 -56.32 4.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -39.85 -38.88 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 2' ' ' TYR . 4.1 mpp_? -80.55 -51.65 8.51 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.69 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.603 ' HA ' ' HB1' ' D' ' 9' ' ' ALA . 4.8 t80 -64.73 -35.94 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.094 -1.003 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -75.72 -47.49 25.84 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 110.626 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -43.17 -27.44 0.22 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.29 -0.881 . . . . 0.0 110.05 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -92.91 -29.61 15.82 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -64.91 -53.65 43.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.697 -0.627 . . . . 0.0 109.706 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -48.9 -26.66 2.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.233 -0.917 . . . . 0.0 109.863 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 17.4 mt -74.98 -10.2 59.25 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.347 -0.845 . . . . 0.0 110.792 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -144.49 46.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.034 -1.041 . . . . 0.0 110.968 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.974 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.601 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.518 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.385 0.612 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.6 OUTLIER -118.57 -27.67 5.86 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.5 mp -42.65 -54.21 4.11 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.527 ' H ' ' CD ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.21 -43.12 6.98 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.73 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -72.39 -46.39 55.49 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.221 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -69.93 -51.23 34.56 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.189 -0.944 . . . . 0.0 109.744 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.526 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.524 -0.735 . . . . 0.0 111.108 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.2 mtmt -46.23 -25.25 0.58 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.57 ' CB ' ' HB3' ' C' ' 9' ' ' ALA . . . -88.22 -25.33 22.94 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.978 0.894 . . . . 0.0 108.884 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 11.1 tptt -67.56 -64.04 0.94 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.178 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -47.28 -26.94 1.36 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.767 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' B' ' 11' ' ' LYS . 27.0 mt -72.03 -7.85 51.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.397 -0.814 . . . . 0.0 110.928 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.43 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -150.98 49.2 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.925 -1.11 . . . . 0.0 111.105 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.5 mm-40 . . . . . 0 C--N 1.29 -1.99 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.82 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.907 0.861 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.764 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.26 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 2.8 mp -43.61 -44.72 6.44 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -50.32 -43.37 53.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.083 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' C' ' 2' ' ' TYR . 1.5 ptm180 -80.1 -3.75 50.0 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.991 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.561 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -107.6 -51.96 2.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -70.62 -21.36 62.65 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 2.5 mttm -58.62 -51.67 68.94 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.164 -0.96 . . . . 0.0 110.235 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -68.4 -22.69 64.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.224 -0.923 . . . . 0.0 109.14 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 21.7 tptt -65.84 -65.33 0.69 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.607 -0.683 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -34.16 2.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.146 -0.971 . . . . 0.0 110.164 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 8' ' ' LYS . 44.8 mt -66.36 -12.43 56.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.249 -0.907 . . . . 0.0 110.891 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.3 pp -143.6 46.04 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.981 -1.074 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.289 -2.044 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.669 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.945 0.879 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.773 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER -173.49 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.014 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 4.9 mp -42.3 -48.48 5.0 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' D' ' 8' ' ' LYS . 0.1 OUTLIER -48.95 -45.29 41.6 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.567 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -70.76 -30.85 67.47 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.597 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.544 ' N ' ' HG2' ' D' ' 5' ' ' ARG . 1.1 t80 -86.27 -55.84 3.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.263 -0.898 . . . . 0.0 109.934 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' D' ' 10' ' ' LYS . 0.2 OUTLIER -56.67 -32.63 65.6 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.308 -0.87 . . . . 0.0 110.595 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.62 -26.16 1.4 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 6' ' ' PHE . . . -90.22 -23.82 21.15 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.397 -0.815 . . . . 0.0 109.021 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -67.58 -59.5 3.3 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.344 0.592 . . . . 0.0 109.414 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -48.93 -26.44 2.49 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.3 -0.875 . . . . 0.0 109.674 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' D' ' 9' ' ' ALA . 30.2 mt -72.59 -9.4 58.54 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.456 -0.777 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.9 OUTLIER -148.95 47.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.866 -1.146 . . . . 0.0 111.038 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 21.2 mm-40 . . . . . 0 C--N 1.291 -1.95 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.692 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 2' ' ' TYR . 88.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.721 0.772 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.47 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -47.47 -59.88 2.92 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.286 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -45.67 -27.1 0.73 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 177.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.847 ' HD2' HD22 ' B' ' 3' ' ' LEU . 17.9 mtp180 -93.98 -15.75 24.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.559 -0.713 . . . . 0.0 110.667 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.8 t80 -98.54 -45.06 6.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 110.413 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -73.99 -27.22 60.86 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.011 -1.056 . . . . 0.0 110.269 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.66 -51.41 67.33 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.059 -1.026 . . . . 0.0 109.657 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -64.25 -26.58 68.57 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.455 -0.778 . . . . 0.0 110.162 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.377 -0.827 . . . . 0.0 110.45 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 8.6 mptt -45.83 -30.73 1.78 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.227 -0.921 . . . . 0.0 110.076 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 92.7 mt -71.0 -8.77 55.61 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 110.992 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.29 47.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.027 -1.045 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 9.3 mm-40 . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.859 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.565 ' O ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.906 0.384 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.665 ' CE2' HD12 ' B' ' 3' ' ' LEU . 0.9 OUTLIER -90.92 -23.4 20.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.847 HD22 ' HD2' ' A' ' 5' ' ' ARG . 7.7 mp -44.36 -53.1 7.11 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.649 ' HD2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -40.82 -26.38 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.482 -0.761 . . . . 0.0 109.125 178.287 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.649 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 3.0 ptm180 -87.19 -36.26 18.1 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.324 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.558 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -88.06 -48.2 7.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.571 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' B' ' 10' ' ' LYS . 0.4 OUTLIER -43.36 -32.06 0.77 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.716 -0.615 . . . . 0.0 110.193 179.207 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -40.59 -35.0 0.41 Allowed 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.454 -0.779 . . . . 0.0 109.623 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -86.13 -33.7 20.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.402 -0.811 . . . . 0.0 108.876 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -53.74 -47.99 70.09 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.24 -31.77 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.054 -1.029 . . . . 0.0 109.429 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 21.5 mt -72.7 -12.45 61.03 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.398 -0.814 . . . . 0.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 1.018 HD12 ' OH ' ' C' ' 2' ' ' TYR . 0.1 OUTLIER -132.93 45.78 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.119 -0.988 . . . . 0.0 110.419 179.482 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.289 -2.026 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.779 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' CYS . . . . . 0.513 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 23.4 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 122.008 0.908 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 1.018 ' OH ' HD12 ' B' ' 13' ' ' ILE . 0.5 OUTLIER -163.44 -154.0 0.26 Allowed 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.12 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.945 HD12 ' C ' ' C' ' 2' ' ' TYR . 1.8 mp 63.86 -69.57 0.08 Allowed 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -55.13 -51.02 67.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.09 -1.006 . . . . 0.0 109.362 178.131 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.943 ' O ' HG21 ' B' ' 13' ' ' ILE . 4.7 ptm180 -85.3 -1.51 57.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.045 -1.034 . . . . 0.0 109.524 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.838 ' HA ' HD13 ' B' ' 13' ' ' ILE . 57.1 t80 -104.15 -48.22 3.93 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.409 -0.807 . . . . 0.0 110.715 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -70.33 -32.73 70.59 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.952 -1.092 . . . . 0.0 109.658 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -48.02 35.37 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.216 -0.928 . . . . 0.0 110.001 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 9' ' ' ALA . . . -73.64 -23.52 59.89 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.638 ' HA ' HD11 ' C' ' 13' ' ' ILE . 2.9 tptp -62.59 -57.49 10.92 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.548 -0.72 . . . . 0.0 110.058 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -44.99 -31.05 1.15 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.162 -0.961 . . . . 0.0 110.126 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.535 HD23 ' HE2' ' C' ' 11' ' ' LYS . 29.2 mt -72.34 -6.61 44.52 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.296 -0.878 . . . . 0.0 110.627 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.3 pp -142.23 43.65 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 7.8 mm-40 . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.677 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.521 ' O ' ' HD3' ' D' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.508 0.671 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.693 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.9 OUTLIER -112.87 -23.2 10.25 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 7.1 mp -46.29 -59.75 2.74 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.1 -26.24 0.72 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.475 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -88.13 -29.88 20.24 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.002 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.1 OUTLIER -88.19 -49.05 7.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 110.711 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.78 -30.15 68.67 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 120.938 -1.101 . . . . 0.0 110.011 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 10.6 mttt -50.96 -56.15 13.8 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.086 -1.009 . . . . 0.0 109.361 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -56.89 -34.77 68.21 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.1 OUTLIER -59.13 -69.28 0.2 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.496 -0.753 . . . . 0.0 110.182 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 110.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 16.9 mt -66.17 -14.29 61.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.355 -0.841 . . . . 0.0 111.198 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.1 pp -146.21 46.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.951 -1.093 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 29.6 mm-40 . . . . . 0 C--N 1.29 -2.003 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.762 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.542 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.44 0.638 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.738 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -120.12 -25.44 5.74 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.878 179.245 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.1 mp -44.7 -53.89 6.82 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -46.09 -38.75 8.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -77.84 -39.64 42.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.976 -0.453 . . . . 0.0 110.31 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -49.55 14.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.978 -1.076 . . . . 0.0 109.619 179.345 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.27 -40.32 85.69 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 110.831 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -43.93 -27.76 0.39 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.134 -0.979 . . . . 0.0 109.597 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' D' ' 9' ' ' ALA . . . -83.77 -36.17 23.8 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.655 ' HA ' HD11 ' A' ' 13' ' ' ILE . 1.4 tptt -56.08 -61.22 2.53 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.637 -0.665 . . . . 0.0 109.689 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -44.97 -37.32 3.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.438 -0.789 . . . . 0.0 110.475 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 38.4 mt -65.64 -8.16 18.99 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.318 -0.863 . . . . 0.0 111.075 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -142.97 41.57 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.026 . . . . 0.0 110.677 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.286 -2.175 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.786 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.627 0.727 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.673 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -172.38 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.673 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.9 mp -43.23 -61.1 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -37.28 -42.5 0.47 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.1 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.555 ' CZ ' HD13 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -75.61 -55.34 5.75 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.153 179.225 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.607 ' CD1' HG21 ' C' ' 13' ' ' ILE . 1.1 t80 -60.56 -43.13 97.59 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 109.645 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -63.11 -53.95 45.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.546 -0.721 . . . . 0.0 110.533 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.597 ' O ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -49.63 -21.39 1.01 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.305 -0.872 . . . . 0.0 110.05 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -84.21 -32.7 24.39 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.437 -0.79 . . . . 0.0 109.429 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -71.17 -61.92 1.59 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.587 -0.696 . . . . 0.0 110.169 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -47.21 -28.92 2.07 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.098 -1.002 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 8' ' ' LYS . 30.6 mt -67.81 -14.74 63.2 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.29 -0.881 . . . . 0.0 111.128 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.496 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.8 OUTLIER -146.13 46.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 111.131 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 16.2 mm-40 . . . . . 0 C--N 1.291 -1.958 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.606 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' CYS . . . . . 0.486 ' O ' ' HD3' ' C' ' 4' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.303 0.573 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.9 OUTLIER -118.51 -14.17 9.68 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 5.3 mp -53.41 -63.79 1.03 Allowed 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.531 ' HG2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -43.31 -27.36 0.24 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.461 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' C' ' 2' ' ' TYR . 6.1 mtp180 -84.54 -50.45 7.7 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.716 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' C' ' 9' ' ' ALA . 7.0 t80 -68.05 -44.72 75.72 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -54.01 -58.59 6.75 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.545 -0.722 . . . . 0.0 110.183 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -58.8 -13.62 6.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' C' ' 6' ' ' PHE . . . -91.86 -32.69 15.23 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.423 -0.798 . . . . 0.0 109.285 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -68.96 -59.73 2.85 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.628 -0.67 . . . . 0.0 110.451 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -28.93 4.57 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.988 -1.07 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' B' ' 5' ' ' ARG . 12.5 mt -68.97 -15.28 63.44 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.431 -0.793 . . . . 0.0 111.33 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.607 HG21 ' CD1' ' B' ' 6' ' ' PHE . 1.6 pp -147.94 45.81 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.772 -1.205 . . . . 0.0 111.613 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 32.6 mm-40 . . . . . 0 C--N 1.289 -2.039 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.811 0.815 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.936 ' HB3' HD12 ' D' ' 3' ' ' LEU . 0.4 OUTLIER -145.95 -161.93 1.41 Allowed 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.936 HD12 ' HB3' ' D' ' 2' ' ' TYR . 6.3 mp 62.3 -64.64 0.09 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.645 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -51.42 -46.58 62.98 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.296 -1.502 . . . . 0.0 109.503 177.811 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.628 ' HD3' ' CD1' ' D' ' 2' ' ' TYR . 3.3 ptm180 -86.31 -18.34 32.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 13' ' ' ILE . 8.8 t80 -93.97 -41.57 9.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.184 -0.947 . . . . 0.0 109.62 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' D' ' 3' ' ' LEU . 0.5 OUTLIER -70.09 -44.13 69.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.661 -0.65 . . . . 0.0 110.638 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -42.47 -35.13 0.97 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.254 -0.904 . . . . 0.0 110.112 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -82.84 -29.01 29.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.328 -0.858 . . . . 0.0 109.113 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 12.2 tptt -64.61 -57.63 8.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.705 -0.622 . . . . 0.0 110.148 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -35.11 3.98 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.198 -0.939 . . . . 0.0 109.934 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 12' ' ' LEU . 12.1 mt -64.52 -8.5 14.08 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.305 -0.872 . . . . 0.0 110.483 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.7 OUTLIER -148.89 46.58 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.132 -0.98 . . . . 0.0 111.119 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.291 -1.953 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.706 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 20.0 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.004 0.907 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -178.31 -32.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.9 mp -47.57 -36.48 10.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.635 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -58.36 -42.02 86.0 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.094 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HD2' ' HA ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -77.44 -8.2 57.36 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.506 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -100.6 -55.77 2.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.073 -1.017 . . . . 0.0 110.655 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.635 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.46 -19.41 64.56 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.428 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 7.2 mtmm -62.22 -55.1 31.85 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.134 -0.979 . . . . 0.0 109.987 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -69.92 -17.26 63.32 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.467 -0.771 . . . . 0.0 109.563 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -68.46 -57.8 5.28 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.555 -0.715 . . . . 0.0 110.714 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -46.71 -32.89 3.87 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.018 -1.051 . . . . 0.0 109.567 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 9' ' ' ALA . 36.9 mt -63.81 -11.7 29.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.448 -0.782 . . . . 0.0 110.459 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.739 HG21 ' CD1' ' D' ' 6' ' ' PHE . 1.3 pp -144.08 43.88 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 5.5 mm-40 . . . . . 0 C--N 1.288 -2.097 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.577 ' O ' ' CD2' ' B' ' 2' ' ' TYR . 30.3 p . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.603 0.716 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.619 ' O ' ' CD1' ' B' ' 2' ' ' TYR . 0.0 OUTLIER 82.76 -14.69 0.73 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 6' ' ' PHE . 6.2 mt -76.76 -38.24 54.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -49.39 -27.44 4.07 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 176.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.544 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -90.2 -27.51 19.49 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.366 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.762 ' HB3' HD23 ' B' ' 3' ' ' LEU . 85.9 t80 -77.46 -54.95 5.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.628 -0.67 . . . . 0.0 110.892 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.2 OUTLIER -62.3 -40.69 97.11 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.065 -1.022 . . . . 0.0 110.162 -179.355 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' B' ' 7' ' ' PHE . 0.1 OUTLIER -43.47 -51.65 6.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.169 -0.957 . . . . 0.0 109.558 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.819 ' HA ' HD23 ' B' ' 12' ' ' LEU . . . -70.25 -47.32 61.86 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 1.5 tptm -39.76 -47.79 2.12 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.593 -0.692 . . . . 0.0 109.676 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -32.57 7.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 110.463 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' B' ' 9' ' ' ALA . 1.3 pp -74.68 -7.01 51.91 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.045 -1.034 . . . . 0.0 110.679 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 1.035 HD13 ' HA ' ' C' ' 6' ' ' PHE . 0.4 OUTLIER -139.97 45.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.977 . . . . 0.0 110.93 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.293 -1.862 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.682 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' CYS . . . . . 0.496 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 18.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.562 0.696 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' C' ' 3' ' ' LEU . 1.0 OUTLIER -159.64 -152.52 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.15 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.813 ' N ' HD12 ' C' ' 3' ' ' LEU . 6.7 mp 58.37 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -45.49 -53.46 8.86 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.955 -1.09 . . . . 0.0 109.639 179.114 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.93 ' O ' HG21 ' B' ' 13' ' ' ILE . 7.8 ptm180 -81.29 -21.4 39.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 1.035 ' HA ' HD13 ' B' ' 13' ' ' ILE . 3.5 t80 -87.07 -52.07 5.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.398 -0.814 . . . . 0.0 109.908 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -57.26 -42.74 82.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.391 -0.818 . . . . 0.0 109.446 179.054 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -30.36 1.48 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.743 0.782 . . . . 0.0 109.056 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -88.11 -39.01 14.91 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' C' ' 13' ' ' ILE . 5.4 tptm -52.54 -47.94 66.43 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.385 -0.822 . . . . 0.0 109.622 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 2.4 mmtt -46.12 -37.38 6.83 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.13 -0.981 . . . . 0.0 109.311 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 18.7 mt -62.36 -11.95 18.44 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.376 -0.827 . . . . 0.0 110.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.7 pp -138.05 42.79 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.116 -0.99 . . . . 0.0 110.684 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.6 mm-40 . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.787 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.477 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 21.1 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 122.187 0.994 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.676 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER 176.57 -34.27 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' D' ' 2' ' ' TYR . 8.5 mp -46.99 -57.01 5.44 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -52.74 -19.4 2.41 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.465 179.23 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.549 ' HD3' ' HB2' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -91.67 -16.91 26.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 110.341 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.739 ' CD1' HG21 ' A' ' 13' ' ' ILE . 6.2 t80 -101.29 -51.76 3.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.259 -0.9 . . . . 0.0 110.26 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.9 -23.0 64.14 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.11 -0.994 . . . . 0.0 110.014 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -54.46 -49.99 68.77 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.182 -0.949 . . . . 0.0 110.299 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.579 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -70.06 -22.86 63.03 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.276 -0.89 . . . . 0.0 109.229 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 5.6 tptm -73.37 -65.26 0.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 110.324 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.9 mmtt -44.76 -29.7 0.82 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.953 . . . . 0.0 109.801 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.76 -8.54 48.98 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.381 -0.825 . . . . 0.0 110.725 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.479 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.2 pp -149.28 47.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.145 -0.972 . . . . 0.0 111.042 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.479 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 4.1 mm-40 . . . . . 0 C--N 1.29 -2.012 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.711 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.575 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.342 0.591 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.668 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -110.24 -25.18 10.28 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.847 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.668 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 9.5 mp -44.32 -57.99 3.18 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -41.94 -37.62 1.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.549 ' NH1' HD13 ' D' ' 12' ' ' LEU . 0.0 OUTLIER -79.97 -40.56 27.77 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.225 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -47.33 22.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 0.0 109.485 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -63.5 -40.87 98.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.46 -0.775 . . . . 0.0 110.791 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 9.9 mtpt -46.59 -25.38 0.69 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.232 -0.917 . . . . 0.0 110.204 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -91.86 -27.6 17.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.414 -0.804 . . . . 0.0 109.194 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -67.82 -55.64 12.2 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.654 -0.653 . . . . 0.0 110.224 179.579 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.39 4.21 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 110.063 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 12' ' ' LEU . 31.7 mt -72.56 -7.27 49.26 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.287 -0.883 . . . . 0.0 110.765 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.615 HG21 ' CD1' ' D' ' 6' ' ' PHE . 0.9 OUTLIER -147.38 46.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 . . . . . 0 C--N 1.29 -1.979 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.69 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 71.9 m . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.606 0.717 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.642 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.95 -30.34 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.447 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.642 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 5.3 mp -46.04 -68.09 0.23 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.557 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -43.13 -28.17 0.27 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.557 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 7.0 mtp180 -85.64 -42.85 13.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.302 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 5.0 t80 -73.65 -45.82 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.333 -0.854 . . . . 0.0 109.321 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.83 -54.1 50.34 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.698 -0.626 . . . . 0.0 110.456 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 2.4 mtmt -54.58 -17.27 3.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' B' ' 6' ' ' PHE . . . -86.79 -34.75 19.47 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.396 -0.815 . . . . 0.0 109.421 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -68.15 -60.95 2.09 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -51.42 -19.38 1.35 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 110.358 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.778 ' O ' HG23 ' B' ' 13' ' ' ILE . 28.1 mt -86.02 -1.37 57.28 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.131 -0.981 . . . . 0.0 111.392 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.778 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.6 OUTLIER -161.79 47.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.846 -1.158 . . . . 0.0 111.205 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 38.5 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.662 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.395 0.617 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.713 ' HB3' HD13 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -149.88 -151.17 0.38 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' C' ' 2' ' ' TYR . 0.1 OUTLIER 60.21 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.643 ' HD2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -54.9 -37.43 66.32 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.935 . . . . 0.0 108.965 178.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.659 ' HD3' ' CE1' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -81.28 -28.19 34.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 0.0 109.099 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' B' ' 13' ' ' ILE . 2.5 t80 -85.21 -56.48 3.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.57 -0.706 . . . . 0.0 110.755 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.625 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -64.76 -20.7 66.51 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.116 -0.99 . . . . 0.0 110.458 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.8 OUTLIER -59.96 -52.17 66.54 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.985 -1.072 . . . . 0.0 109.83 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -67.84 -21.53 65.18 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.347 -0.846 . . . . 0.0 109.297 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.488 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -64.37 0.89 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.62 -0.675 . . . . 0.0 110.244 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' C' ' 10' ' ' LYS . 0.1 OUTLIER -42.8 -28.25 0.23 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.256 -0.902 . . . . 0.0 109.689 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 30.5 mt -68.95 -12.85 62.04 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.415 -0.803 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.495 HD13 ' CE1' ' B' ' 6' ' ' PHE . 0.8 OUTLIER -145.6 47.46 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.991 -1.068 . . . . 0.0 111.193 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.488 ' HG3' ' C ' ' C' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.29 -2.009 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.622 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.529 ' O ' ' HD3' ' D' ' 4' ' ' ARG . 1.6 m . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.568 0.699 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.558 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 0.7 OUTLIER -116.72 -19.58 9.88 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.498 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 5.9 mp -47.61 -60.56 2.46 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.652 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.96 -25.57 0.82 Allowed 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.341 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -88.93 -28.67 20.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 110.311 179.263 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -84.68 -47.8 10.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.73 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.652 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -74.36 -26.39 60.1 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.058 -1.027 . . . . 0.0 110.569 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 7.8 mttt -62.43 -47.68 83.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.058 -1.026 . . . . 0.0 109.68 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -68.3 -26.5 65.66 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.431 -0.793 . . . . 0.0 108.945 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 2.7 tptp -61.32 -63.4 1.3 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.714 -0.616 . . . . 0.0 109.763 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.464 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 1.4 mmtm -38.99 -33.28 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.645 -0.66 . . . . 0.0 110.537 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.549 HD13 ' NH1' ' A' ' 5' ' ' ARG . 13.4 mt -67.32 -17.2 64.67 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 0.0 110.941 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.456 HD12 ' O ' ' D' ' 14' ' ' GLU . 1.9 pp -146.59 -32.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 122.207 1.003 . . . . 0.0 111.982 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' D' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.271 -2.82 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.17 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.561 ' HB2' ' CD ' ' A' ' 4' ' ' ARG . 16.8 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.999 0.904 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 174.67 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.644 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -49.41 -50.02 42.34 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.011 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.561 ' CD ' ' HB2' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -51.69 -35.36 42.44 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.56 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.98 -44.27 85.39 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.769 178.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.76 -49.98 54.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.249 -0.907 . . . . 0.0 108.966 179.258 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 m-85 -53.14 -38.3 62.58 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.469 -0.77 . . . . 0.0 110.347 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.6 mtpp -50.71 -19.7 1.02 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.272 -0.893 . . . . 0.0 109.908 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.876 ' HB2' ' HB1' ' D' ' 9' ' ' ALA . . . -97.41 -22.2 16.74 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 10.6 tptt -72.74 -55.61 6.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.833 -0.542 . . . . 0.0 109.945 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -48.26 -26.12 1.84 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.3 -0.875 . . . . 0.0 109.841 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mt -69.32 -16.33 63.53 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.491 -0.756 . . . . 0.0 110.905 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -146.42 48.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 111.295 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 12.9 mm-40 . . . . . 0 C--N 1.291 -1.938 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.638 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.505 ' O ' ' HD3' ' B' ' 4' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.491 0.662 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.702 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -114.85 -23.55 9.09 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.702 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 6.9 mp -46.15 -61.49 1.74 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.532 ' HB3' ' CZ ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.58 -27.02 0.42 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -85.18 -37.13 20.52 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.788 178.722 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.55 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 6.2 t80 -83.63 -49.73 8.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.397 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.53 ' HA ' ' HB2' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -55.81 -41.35 74.06 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER -48.9 -23.8 1.24 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.441 179.334 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.592 ' HB2' ' CB ' ' C' ' 9' ' ' ALA . . . -89.68 -25.36 21.26 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.628 ' HE2' HD11 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.22 -61.6 1.93 Allowed 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.321 0.581 . . . . 0.0 109.952 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -46.94 -34.23 5.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' HG3' ' C' ' 5' ' ' ARG . 29.6 mt -70.58 -5.29 28.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.399 -0.813 . . . . 0.0 110.818 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.628 HD11 ' HE2' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -146.1 46.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.025 -1.047 . . . . 0.0 110.862 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.293 -1.855 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.691 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.959 0.885 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.749 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.32 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.749 HD12 ' CE2' ' C' ' 2' ' ' TYR . 7.2 mp -45.9 -31.27 2.07 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -63.18 -47.43 82.67 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -71.71 -14.41 62.02 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.982 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' C' ' 6' ' ' PHE . 0.2 OUTLIER -92.29 -62.97 1.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.303 -0.873 . . . . 0.0 110.631 -179.394 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -62.34 -23.83 66.99 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.971 -1.081 . . . . 0.0 110.475 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 6.4 mttt -56.34 -53.65 54.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.013 -1.054 . . . . 0.0 109.328 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.592 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -58.0 -30.78 66.35 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.532 -0.73 . . . . 0.0 109.76 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.1 OUTLIER -64.4 -66.53 0.53 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.452 -0.78 . . . . 0.0 110.159 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 10' ' ' LYS . 6.3 mmpt? -43.59 -34.25 1.38 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.292 -0.88 . . . . 0.0 109.875 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 27.1 mt -63.15 -12.42 27.55 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.493 -0.754 . . . . 0.0 110.652 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.1 pp -144.54 44.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.041 -1.037 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 13.7 mm-40 . . . . . 0 C--N 1.29 -2.017 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.563 ' HB2' ' HD3' ' D' ' 4' ' ' ARG . 27.3 p . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 122.388 1.089 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CG ' ' N ' ' D' ' 3' ' ' LEU . 0.3 OUTLIER 177.36 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.962 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.638 ' N ' ' CG ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -49.27 -51.95 30.42 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.636 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.61 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -46.67 -29.17 1.74 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.624 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.58 ' CD ' ' HA ' ' D' ' 2' ' ' TYR . 0.2 OUTLIER -90.47 -29.75 17.75 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.212 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -84.09 -44.32 14.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.416 -0.803 . . . . 0.0 110.659 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -69.73 -38.76 76.99 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 -179.198 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.6 OUTLIER -54.34 -54.88 34.48 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.124 -0.985 . . . . 0.0 110.451 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.876 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -65.35 -19.16 65.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -71.41 -66.15 0.66 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.509 -0.744 . . . . 0.0 110.318 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' D' ' 10' ' ' LYS . 0.8 OUTLIER -44.34 -29.57 0.69 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.149 -0.97 . . . . 0.0 109.772 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' D' ' 9' ' ' ALA . 47.7 mt -67.62 -15.33 63.59 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.356 -0.84 . . . . 0.0 110.99 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.53 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -150.23 49.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.952 -1.092 . . . . 0.0 111.284 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 22.3 mm-40 . . . . . 0 C--N 1.293 -1.878 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.665 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' B' ' 1' ' ' CYS . 5.5 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.161 0.505 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.72 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -163.5 -99.71 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 4' ' ' ARG . 1.8 pp -54.06 -47.87 71.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.514 -1.274 . . . . 0.0 109.277 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -53.58 -39.71 65.04 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.624 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.06 -26.87 40.58 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.239 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -96.46 -45.01 6.93 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -62.03 -27.13 68.67 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.647 -0.658 . . . . 0.0 110.641 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 1.7 ttpt -60.69 -14.5 21.25 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.094 -1.004 . . . . 0.0 109.36 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.98 -30.9 13.88 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.69 0.757 . . . . 0.0 109.431 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -69.01 -52.47 28.44 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.612 -0.68 . . . . 0.0 109.944 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -32.87 8.34 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.764 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.524 HD13 HH21 ' D' ' 5' ' ' ARG . 40.4 mt -63.31 -14.61 51.65 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.507 -0.746 . . . . 0.0 110.888 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -142.54 44.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.97 . . . . 0.0 110.959 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 27.4 mm-40 . . . . . 0 C--N 1.29 -1.984 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.752 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.58 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 2.1 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.493 0.664 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.786 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.7 OUTLIER -115.94 -27.26 7.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.693 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.786 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 8.1 mp -43.58 -54.65 4.79 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.58 ' NE ' ' HA ' ' B' ' 1' ' ' CYS . 0.3 OUTLIER -42.48 -39.89 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -74.89 -44.08 50.82 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.065 179.042 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.466 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -74.71 -50.43 17.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 0.0 109.951 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.587 ' CE1' ' HE3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -58.52 -40.5 83.08 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.344 -0.848 . . . . 0.0 110.485 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -42.11 -27.05 0.11 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.423 -0.798 . . . . 0.0 110.245 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -87.65 -32.72 19.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.336 -0.852 . . . . 0.0 109.408 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.587 ' HE3' ' CE1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -72.99 -54.72 7.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.905 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -27.75 12.74 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.206 -0.934 . . . . 0.0 109.544 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 13' ' ' ILE . 22.2 mt -74.86 -2.86 28.72 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.462 -0.774 . . . . 0.0 110.939 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.505 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 1.2 pp -151.02 45.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.01 -1.056 . . . . 0.0 111.328 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 8.8 mm-40 . . . . . 0 C--N 1.289 -2.045 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.704 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 2' ' ' TYR . 16.4 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.931 0.872 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.652 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER 176.12 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.314 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.652 HD12 ' CE2' ' C' ' 2' ' ' TYR . 8.9 mp -47.24 -47.66 24.64 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -61.9 -22.84 65.91 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.492 179.008 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -99.97 3.97 44.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.931 -1.106 . . . . 0.0 110.309 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -111.14 -47.95 3.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.582 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' C' ' 6' ' ' PHE . 0.3 OUTLIER -74.96 -32.32 61.7 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -61.73 -46.52 89.29 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.43 -0.794 . . . . 0.0 109.676 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -64.23 -28.64 69.87 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.3 tptt -66.63 -64.09 0.93 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.669 -0.645 . . . . 0.0 109.679 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' C' ' 10' ' ' LYS . 38.1 mmtt -43.73 -37.92 2.92 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.237 -0.915 . . . . 0.0 109.817 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' C' ' 9' ' ' ALA . 34.9 mt -63.16 -9.9 12.87 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.415 -0.803 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.514 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.2 pp -146.64 46.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.189 -0.944 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 14.5 mm-40 . . . . . 0 C--N 1.29 -1.989 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.625 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 84.6 m . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.832 0.825 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.671 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER 175.88 -32.14 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.671 HD12 ' CE2' ' D' ' 2' ' ' TYR . 9.1 mp -48.18 -59.21 3.58 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -45.95 -26.74 0.76 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.347 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.581 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -91.34 -22.97 20.25 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.187 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -91.7 -46.91 7.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.639 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -73.89 -22.72 59.61 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.896 -1.127 . . . . 0.0 110.082 -179.386 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 1.7 mttt -60.63 -52.67 64.17 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.217 -0.927 . . . . 0.0 109.957 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -68.85 -20.92 64.3 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.319 -0.863 . . . . 0.0 108.881 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -64.99 -64.38 0.88 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.727 -0.608 . . . . 0.0 110.091 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' D' ' 12' ' ' LEU . 0.0 OUTLIER -44.68 -30.68 0.98 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 109.758 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' D' ' 11' ' ' LYS . 14.7 mt -67.13 -10.31 48.89 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.364 -0.835 . . . . 0.0 110.25 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.455 HG13 ' O ' ' D' ' 10' ' ' LYS . 1.4 pp -143.81 44.21 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.604 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 3.8 mm-40 . . . . . 0 C--N 1.288 -2.099 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.774 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 74.4 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.399 0.619 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.661 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 1.9 p90 -112.02 -18.4 12.63 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.661 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 6.1 mp -46.11 -68.29 0.21 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.566 ' HG2' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -43.02 -29.44 0.34 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.566 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 3.6 mpp_? -84.55 -38.94 19.39 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.235 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 -81.44 -48.03 12.42 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 109.196 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -52.07 -46.21 65.06 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 8.8 mtpt -50.78 -22.21 2.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.296 -0.877 . . . . 0.0 109.132 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 9' ' ' ALA . . . -93.19 -45.85 7.68 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.1 tptt -46.7 -47.61 20.41 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.709 -0.62 . . . . 0.0 109.647 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -49.01 -28.79 4.22 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.035 -1.041 . . . . 0.0 109.364 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.1 mt -73.19 -9.24 58.51 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.403 -0.81 . . . . 0.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HD2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -140.14 45.2 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.092 -1.005 . . . . 0.0 110.559 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.73 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 10.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.36 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.8 mp -46.35 -65.51 0.54 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -41.39 -31.22 0.23 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -81.24 -49.32 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.146 178.44 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -69.13 -50.44 47.89 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.485 -0.76 . . . . 0.0 109.464 179.133 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.594 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 0.1 OUTLIER -58.74 -39.98 82.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 110.606 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -46.03 -27.43 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.261 -0.899 . . . . 0.0 109.8 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.559 ' CB ' ' HB1' ' C' ' 9' ' ' ALA . . . -85.23 -30.51 23.78 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 3.8 tptm -63.77 -64.84 0.79 Allowed 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.231 0.539 . . . . 0.0 109.883 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -44.61 -34.68 2.25 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.309 -0.869 . . . . 0.0 110.054 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' B' ' 12' ' ' LEU . 22.1 mt -63.19 -13.67 40.05 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.267 -0.896 . . . . 0.0 110.586 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -147.18 48.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.021 -1.05 . . . . 0.0 111.306 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 6.0 mm-40 . . . . . 0 C--N 1.292 -1.899 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.583 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' CYS . . . . . 0.518 ' HB2' ' HD3' ' C' ' 4' ' ' ARG . 12.8 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 122.329 1.061 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.63 ' CG ' ' N ' ' C' ' 3' ' ' LEU . 0.2 OUTLIER 174.8 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.63 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -50.64 -51.02 52.79 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.1 OUTLIER -48.0 -28.49 2.8 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.415 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.5 OUTLIER -87.1 -25.7 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.78 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.0 OUTLIER -91.2 -45.13 8.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.038 -1.039 . . . . 0.0 110.738 -179.365 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -72.1 -26.46 62.15 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.054 -1.029 . . . . 0.0 110.833 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' C' ' 4' ' ' ARG . 0.5 OUTLIER -61.88 -50.2 73.15 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.033 -1.042 . . . . 0.0 109.593 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -65.99 -23.26 66.55 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.812 . . . . 0.0 109.271 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 1.9 tptp -71.47 -64.25 0.96 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.64 -0.663 . . . . 0.0 110.279 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' LYS . 7.0 mmtp -43.72 -32.84 1.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 110.122 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' C' ' 9' ' ' ALA . 36.6 mt -60.71 -16.19 37.04 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.32 -0.863 . . . . 0.0 110.591 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.502 HD13 ' HE2' ' B' ' 6' ' ' PHE . 1.5 pp -145.66 44.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.474 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 5.0 mm-40 . . . . . 0 C--N 1.288 -2.081 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.646 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.56 ' O ' ' NE ' ' D' ' 4' ' ' ARG . 35.7 m . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.099 0.476 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.579 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 1.1 p90 -100.53 -24.63 14.42 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 1.031 HD23 ' HB3' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -52.85 -34.31 53.73 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.457 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.623 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -55.79 -18.58 8.81 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.688 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER -104.16 -19.19 14.23 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.52 0.676 . . . . 0.0 109.469 178.813 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.562 ' HB3' ' HA ' ' D' ' 3' ' ' LEU . 1.4 t80 -98.45 -43.84 6.74 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.383 -0.823 . . . . 0.0 110.162 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 1.031 ' HB3' HD23 ' D' ' 3' ' ' LEU . 0.1 OUTLIER -66.85 -29.49 69.42 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 120.969 -1.082 . . . . 0.0 109.191 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.28 -47.3 25.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.478 -0.764 . . . . 0.0 109.304 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 9' ' ' ALA . . . -76.91 -33.46 57.77 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.309 -0.869 . . . . 0.0 108.735 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' D' ' 7' ' ' PHE . 0.6 OUTLIER -51.04 -52.78 39.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.391 -0.818 . . . . 0.0 109.647 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.488 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 2.9 mmtp -42.34 -37.5 1.56 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.422 -0.798 . . . . 0.0 110.153 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 91.5 mt -65.02 -13.69 58.53 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.316 -0.865 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.959 HD12 ' N ' ' D' ' 14' ' ' GLU . 2.8 pp -139.48 -37.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 122.436 1.112 . . . . 0.0 111.766 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.959 ' N ' HD12 ' D' ' 13' ' ' ILE . 1.3 mt-10 . . . . . 0 C--N 1.269 -2.925 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.265 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.489 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.603 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -130.42 -22.0 2.8 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.04 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.603 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.6 mp -46.87 -41.23 15.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.626 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -61.98 -39.35 91.88 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -85.13 -0.61 55.11 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.476 179.372 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' D' ' 13' ' ' ILE . 1.8 t80 -107.1 -53.98 2.54 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.172 -0.955 . . . . 0.0 110.096 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.23 -24.0 64.86 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.018 -1.051 . . . . 0.0 110.118 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -60.65 -56.28 23.21 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 109.809 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -66.03 -22.01 66.42 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.356 -0.84 . . . . 0.0 109.142 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -67.09 -65.75 0.64 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.557 -0.714 . . . . 0.0 109.85 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -35.81 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.511 0.672 . . . . 0.0 109.975 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.8 mt -67.85 -43.74 78.79 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.412 -0.805 . . . . 0.0 110.615 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' D' ' 6' ' ' PHE . 1.2 pt -134.53 -6.06 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.006 -1.059 . . . . 0.0 112.64 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.276 -2.6 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.96 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.439 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 122.036 0.922 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -162.24 -39.14 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 6' ' ' PHE . 0.3 OUTLIER -42.4 -40.29 2.49 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.373 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -52.78 -45.96 67.39 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.5 OUTLIER -75.33 -14.21 60.47 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.285 178.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.59 ' HB3' ' HA ' ' B' ' 3' ' ' LEU . 15.4 t80 -94.38 -58.32 2.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.628 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -62.47 -28.54 69.89 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.067 -1.02 . . . . 0.0 109.93 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' B' ' 4' ' ' ARG . 19.5 mtpt -48.92 -52.17 26.09 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.205 -0.934 . . . . 0.0 109.994 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -61.56 -33.91 74.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -62.44 -64.2 1.0 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.345 -0.847 . . . . 0.0 110.188 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 10' ' ' LYS . 37.0 mmtt -43.78 -35.27 1.82 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.144 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 12' ' ' LEU . 16.9 mt -65.81 -10.56 38.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.336 -0.853 . . . . 0.0 111.178 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.515 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.5 OUTLIER -146.79 47.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.03 -1.044 . . . . 0.0 110.894 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 18.4 mm-40 . . . . . 0 C--N 1.292 -1.908 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.693 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' CYS . . . . . 0.505 ' HA ' ' NE ' ' C' ' 4' ' ' ARG . 14.0 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 122.141 0.972 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' C' ' 2' ' ' TYR . 0.2 OUTLIER -169.7 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.59 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.4 OUTLIER -44.53 -47.31 10.17 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.5 OUTLIER -46.98 -35.14 6.24 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.458 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.6 OUTLIER -86.2 -18.55 31.87 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.818 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.3 OUTLIER -95.0 -49.64 5.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.343 -0.848 . . . . 0.0 110.193 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' CD ' ' C' ' 8' ' ' LYS . 0.1 OUTLIER -68.98 -34.25 75.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.025 -1.047 . . . . 0.0 109.634 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.628 ' CD ' ' CZ ' ' C' ' 7' ' ' PHE . 0.4 OUTLIER -44.63 -57.75 3.46 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.752 ' HA ' HD21 ' C' ' 12' ' ' LEU . . . -58.19 -36.79 73.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.629 -0.669 . . . . 0.0 110.179 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.545 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -59.92 -63.63 1.23 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.258 -0.902 . . . . 0.0 109.728 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -49.28 16.55 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 1.069 HD12 HG23 ' C' ' 13' ' ' ILE . 1.0 OUTLIER -65.63 -7.5 15.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.901 -1.125 . . . . 0.0 111.874 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 1.069 HG23 HD12 ' C' ' 12' ' ' LEU . 1.6 pp -134.97 41.23 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.594 -1.316 . . . . 0.0 111.502 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mm-40 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.515 ' HA ' ' NE ' ' D' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 122.061 0.934 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.617 ' O ' ' N ' ' D' ' 5' ' ' ARG . 0.3 OUTLIER -147.68 -38.6 0.19 Allowed 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.596 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' D' ' 6' ' ' PHE . 0.3 OUTLIER -43.04 -46.06 5.45 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.001 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.62 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 1.8 mpt_? -46.42 -38.06 8.5 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.1 OUTLIER -84.95 -26.81 26.94 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.241 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -82.11 -43.54 17.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 110.338 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -75.07 -28.96 60.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.085 -1.01 . . . . 0.0 110.282 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' D' ' 4' ' ' ARG . 0.7 OUTLIER -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.176 -0.953 . . . . 0.0 109.683 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' D' ' 8' ' ' LYS . . . -69.3 -22.49 63.79 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.256 -0.903 . . . . 0.0 109.086 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.474 ' C ' ' HG3' ' D' ' 14' ' ' GLU . 10.4 tptt -66.75 -64.88 0.76 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.615 -0.678 . . . . 0.0 110.374 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.5 mmtt -43.31 -34.39 1.2 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.852 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 14.3 mt -61.13 -12.39 12.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.453 -0.78 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.731 HG21 ' CE1' ' A' ' 6' ' ' PHE . 1.2 pp -149.44 46.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.187 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.4 mm-40 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.685 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' NE ' ' A' ' 4' ' ' ARG . 24.4 p . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.657 0.742 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.683 ' CE2' HD12 ' A' ' 3' ' ' LEU . 2.6 p90 -78.58 -19.69 52.21 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 176.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.683 HD12 ' CE2' ' A' ' 2' ' ' TYR . 9.8 mp -47.34 -45.55 24.79 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.997 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -56.98 -15.71 5.51 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 118.689 -1.204 . . . . 0.0 108.491 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -96.8 -22.22 17.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.92 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -97.54 -49.99 4.67 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.901 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.25 -26.61 65.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.985 . . . . 0.0 109.63 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 1.1 mttt -53.0 -56.59 14.96 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' D' ' 9' ' ' ALA . . . -61.58 -31.64 71.7 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.457 -0.777 . . . . 0.0 109.53 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -69.09 -66.31 0.59 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.47 -0.768 . . . . 0.0 110.368 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -32.37 2.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.95 . . . . 0.0 109.864 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' ALA . 56.0 mt -66.54 -9.76 38.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.362 -0.837 . . . . 0.0 110.732 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -149.05 46.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.121 -0.987 . . . . 0.0 111.014 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 29.0 mm-40 . . . . . 0 C--N 1.29 -1.998 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' CYS . . . . . 0.558 ' HA ' ' CD ' ' B' ' 4' ' ' ARG . 22.5 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.525 0.679 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.8 OUTLIER -120.21 -36.27 3.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.318 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -43.32 -49.94 6.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.883 0.849 . . . . 0.0 108.736 178.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -43.83 -32.28 1.03 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.8 OUTLIER -88.57 -24.86 22.75 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.437 179.22 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PHE . . . . . 0.596 ' CD1' HG21 ' C' ' 13' ' ' ILE . 0.4 OUTLIER -89.51 -44.03 10.41 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.24 -0.912 . . . . 0.0 110.679 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -71.12 -32.75 69.39 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.85 -1.156 . . . . 0.0 110.239 -179.423 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.0 OUTLIER -56.56 -54.97 39.68 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.16 -0.963 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -65.06 -20.53 66.53 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.258 -0.902 . . . . 0.0 109.346 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -67.18 -66.44 0.56 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 109.749 179.355 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' B' ' 10' ' ' LYS . 5.1 mmtp -34.89 -31.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.385 0.612 . . . . 0.0 110.298 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 10' ' ' LYS . 11.4 mt -66.18 -42.9 88.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 10' ' ' LYS . 1.1 pt -131.97 -8.36 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.928 -1.107 . . . . 0.0 112.448 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.277 -2.573 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.171 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 1' ' ' CYS . . . . . 0.487 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 90.2 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.797 0.808 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' TYR . . . . . 0.955 ' HB3' HD12 ' C' ' 3' ' ' LEU . 0.2 OUTLIER -159.28 -167.14 1.98 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.955 HD12 ' HB3' ' C' ' 2' ' ' TYR . 6.0 mp 65.19 -51.35 0.35 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.527 0.679 . . . . 0.0 109.406 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -67.68 -51.58 48.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.123 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' C' ' 1' ' ' CYS . 0.9 OUTLIER -79.13 5.45 11.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.763 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 6' ' ' PHE . . . . . 0.629 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -104.2 -57.79 1.98 Allowed 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.305 -0.872 . . . . 0.0 109.811 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 7' ' ' PHE . . . . . 0.629 ' N ' ' CD2' ' C' ' 6' ' ' PHE . 1.1 p90 -70.38 -30.61 67.57 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.874 -1.141 . . . . 0.0 109.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -55.93 -50.31 71.1 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.176 -0.952 . . . . 0.0 110.248 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -67.76 -26.61 66.2 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.421 -0.8 . . . . 0.0 108.993 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -61.61 -65.51 0.68 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.745 -0.597 . . . . 0.0 110.324 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mmtt -41.75 -36.17 0.95 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 0.0 110.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 12' ' ' LEU . 51.4 mt -66.67 -11.53 54.4 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.438 -0.789 . . . . 0.0 111.209 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ILE . . . . . 0.596 HG21 ' CD1' ' B' ' 6' ' ' PHE . 0.5 OUTLIER -147.15 50.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.095 -1.003 . . . . 0.0 111.119 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 9.7 mm-40 . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.716 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' CYS . . . . . 0.485 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 80.3 m . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.911 0.862 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER 176.01 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 5.4 mp -47.4 -53.78 13.03 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ARG . . . . . 0.605 ' HG2' ' N ' ' D' ' 5' ' ' ARG . 0.0 OUTLIER -49.82 -28.78 6.83 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.363 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.605 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 1.3 ptm180 -95.27 4.97 52.94 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.414 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -114.19 -47.2 2.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.061 -1.024 . . . . 0.0 109.824 179.557 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 7' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.3 OUTLIER -75.88 -25.03 55.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.192 -0.943 . . . . 0.0 110.106 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 3.1 mttm -61.03 -52.34 65.39 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.162 -0.961 . . . . 0.0 109.963 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -70.24 -22.28 62.91 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.314 -0.867 . . . . 0.0 109.304 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -63.0 -60.4 3.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.696 -0.628 . . . . 0.0 110.241 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -32.87 1.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.33 -0.856 . . . . 0.0 110.264 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' D' ' 12' ' ' LEU . 26.3 mt -68.98 -8.68 47.01 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.381 -0.824 . . . . 0.0 111.186 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ILE . . . . . 0.525 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -151.04 48.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.933 -1.104 . . . . 0.0 111.096 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.292 -1.904 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.662 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.559 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.418 0.628 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.756 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -115.4 -27.47 7.19 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.756 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.3 mp -44.16 -56.32 4.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -39.85 -38.88 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 2' ' ' TYR . 4.1 mpp_? -80.55 -51.65 8.51 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.69 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.603 ' HA ' ' HB1' ' D' ' 9' ' ' ALA . 4.8 t80 -64.73 -35.94 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.094 -1.003 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -75.72 -47.49 25.84 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 110.626 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -43.17 -27.44 0.22 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.29 -0.881 . . . . 0.0 110.05 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -92.91 -29.61 15.82 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -64.91 -53.65 43.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.697 -0.627 . . . . 0.0 109.706 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -48.9 -26.66 2.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.233 -0.917 . . . . 0.0 109.863 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 17.4 mt -74.98 -10.2 59.25 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.347 -0.845 . . . . 0.0 110.792 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.487 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -144.49 46.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.034 -1.041 . . . . 0.0 110.968 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.974 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.601 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.518 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.385 0.612 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.6 OUTLIER -118.57 -27.67 5.86 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.5 mp -42.65 -54.21 4.11 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.527 ' H ' ' CD ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.21 -43.12 6.98 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.73 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -72.39 -46.39 55.49 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.221 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -69.93 -51.23 34.56 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.189 -0.944 . . . . 0.0 109.744 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.526 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.524 -0.735 . . . . 0.0 111.108 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.2 mtmt -46.23 -25.25 0.58 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.57 ' CB ' ' HB3' ' C' ' 9' ' ' ALA . . . -88.22 -25.33 22.94 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.978 0.894 . . . . 0.0 108.884 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 11.1 tptt -67.56 -64.04 0.94 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.178 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -47.28 -26.94 1.36 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.767 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' B' ' 11' ' ' LYS . 27.0 mt -72.03 -7.85 51.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.397 -0.814 . . . . 0.0 110.928 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.43 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -150.98 49.2 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.925 -1.11 . . . . 0.0 111.105 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.5 mm-40 . . . . . 0 C--N 1.29 -1.99 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.82 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.907 0.861 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.764 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.26 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 2.8 mp -43.61 -44.72 6.44 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -50.32 -43.37 53.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' C' ' 2' ' ' TYR . 1.5 ptm180 -80.1 -3.75 50.0 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.991 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.561 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -107.6 -51.96 2.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -70.62 -21.36 62.65 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 2.5 mttm -58.62 -51.67 68.94 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.164 -0.96 . . . . 0.0 110.235 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -68.4 -22.69 64.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.224 -0.923 . . . . 0.0 109.14 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 21.7 tptt -65.84 -65.33 0.69 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.607 -0.683 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -34.16 2.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.146 -0.971 . . . . 0.0 110.164 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 8' ' ' LYS . 44.8 mt -66.36 -12.43 56.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.249 -0.907 . . . . 0.0 110.891 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.3 pp -143.6 46.04 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.981 -1.074 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.289 -2.044 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.669 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.773 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.944 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 4.9 mp -42.3 -48.48 5.0 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' D' ' 8' ' ' LYS . 0.1 OUTLIER -48.95 -45.29 41.6 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.567 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -70.76 -30.85 67.47 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.597 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.544 ' N ' ' HG2' ' D' ' 5' ' ' ARG . 1.1 t80 -86.27 -55.84 3.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.263 -0.898 . . . . 0.0 109.934 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' D' ' 10' ' ' LYS . 0.2 OUTLIER -56.67 -32.63 65.6 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.308 -0.87 . . . . 0.0 110.595 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.62 -26.16 1.4 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 6' ' ' PHE . . . -90.22 -23.82 21.15 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.397 -0.815 . . . . 0.0 109.021 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -67.58 -59.5 3.3 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.344 0.592 . . . . 0.0 109.414 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -48.93 -26.44 2.49 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.3 -0.875 . . . . 0.0 109.674 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' D' ' 9' ' ' ALA . 30.2 mt -72.59 -9.4 58.54 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.456 -0.777 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.9 OUTLIER -148.95 47.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.866 -1.146 . . . . 0.0 111.038 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 21.2 mm-40 . . . . . 0 C--N 1.291 -1.95 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.692 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 2' ' ' TYR . 88.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.721 0.772 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.47 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -47.47 -59.88 2.92 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -45.67 -27.1 0.73 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 177.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.847 ' HD2' HD22 ' B' ' 3' ' ' LEU . 17.9 mtp180 -93.98 -15.75 24.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.559 -0.713 . . . . 0.0 110.667 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.8 t80 -98.54 -45.06 6.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 110.413 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -73.99 -27.22 60.86 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.011 -1.056 . . . . 0.0 110.269 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.66 -51.41 67.33 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.059 -1.026 . . . . 0.0 109.657 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -64.25 -26.58 68.57 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.455 -0.778 . . . . 0.0 110.162 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.377 -0.827 . . . . 0.0 110.45 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 8.6 mptt -45.83 -30.73 1.78 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.227 -0.921 . . . . 0.0 110.076 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 92.7 mt -71.0 -8.77 55.61 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 110.992 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.29 47.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.027 -1.045 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 9.3 mm-40 . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.859 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.565 ' O ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.906 0.384 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.665 ' CE2' HD12 ' B' ' 3' ' ' LEU . 0.9 OUTLIER -90.92 -23.4 20.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.847 HD22 ' HD2' ' A' ' 5' ' ' ARG . 7.7 mp -44.36 -53.1 7.11 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.649 ' HD2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -40.82 -26.38 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.482 -0.761 . . . . 0.0 109.125 178.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.649 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 3.0 ptm180 -87.19 -36.26 18.1 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.324 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.558 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -88.06 -48.2 7.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' B' ' 10' ' ' LYS . 0.4 OUTLIER -43.36 -32.06 0.77 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.716 -0.615 . . . . 0.0 110.193 179.207 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -40.59 -35.0 0.41 Allowed 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.454 -0.779 . . . . 0.0 109.623 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -86.13 -33.7 20.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.402 -0.811 . . . . 0.0 108.876 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -53.74 -47.99 70.09 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.24 -31.77 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.054 -1.029 . . . . 0.0 109.429 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 21.5 mt -72.7 -12.45 61.03 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.398 -0.814 . . . . 0.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 1.018 HD12 ' OH ' ' C' ' 2' ' ' TYR . 0.1 OUTLIER -132.93 45.78 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.119 -0.988 . . . . 0.0 110.419 179.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.289 -2.026 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.779 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . 0.513 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 23.4 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 122.008 0.908 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 1.018 ' OH ' HD12 ' B' ' 13' ' ' ILE . 0.5 OUTLIER -163.44 -154.0 0.26 Allowed 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.12 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.945 HD12 ' C ' ' C' ' 2' ' ' TYR . 1.8 mp 63.86 -69.57 0.08 Allowed 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -55.13 -51.02 67.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.09 -1.006 . . . . 0.0 109.362 178.131 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.943 ' O ' HG21 ' B' ' 13' ' ' ILE . 4.7 ptm180 -85.3 -1.51 57.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.045 -1.034 . . . . 0.0 109.524 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.838 ' HA ' HD13 ' B' ' 13' ' ' ILE . 57.1 t80 -104.15 -48.22 3.93 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.409 -0.807 . . . . 0.0 110.715 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -70.33 -32.73 70.59 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.952 -1.092 . . . . 0.0 109.658 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -48.02 35.37 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.216 -0.928 . . . . 0.0 110.001 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 9' ' ' ALA . . . -73.64 -23.52 59.89 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.638 ' HA ' HD11 ' C' ' 13' ' ' ILE . 2.9 tptp -62.59 -57.49 10.92 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.548 -0.72 . . . . 0.0 110.058 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -44.99 -31.05 1.15 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.162 -0.961 . . . . 0.0 110.126 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.535 HD23 ' HE2' ' C' ' 11' ' ' LYS . 29.2 mt -72.34 -6.61 44.52 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.296 -0.878 . . . . 0.0 110.627 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.3 pp -142.23 43.65 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 7.8 mm-40 . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.677 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.693 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 7.1 mp -46.29 -59.75 2.74 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.1 -26.24 0.72 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.475 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -88.13 -29.88 20.24 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.002 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.1 OUTLIER -88.19 -49.05 7.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 110.711 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.78 -30.15 68.67 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 120.938 -1.101 . . . . 0.0 110.011 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 10.6 mttt -50.96 -56.15 13.8 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.086 -1.009 . . . . 0.0 109.361 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -56.89 -34.77 68.21 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.1 OUTLIER -59.13 -69.28 0.2 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.496 -0.753 . . . . 0.0 110.182 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 110.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 16.9 mt -66.17 -14.29 61.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.355 -0.841 . . . . 0.0 111.198 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.1 pp -146.21 46.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.951 -1.093 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 29.6 mm-40 . . . . . 0 C--N 1.29 -2.003 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.762 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.542 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.44 0.638 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.738 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -120.12 -25.44 5.74 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.878 179.245 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.1 mp -44.7 -53.89 6.82 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -46.09 -38.75 8.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -77.84 -39.64 42.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.976 -0.453 . . . . 0.0 110.31 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -49.55 14.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.978 -1.076 . . . . 0.0 109.619 179.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.27 -40.32 85.69 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 110.831 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -43.93 -27.76 0.39 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.134 -0.979 . . . . 0.0 109.597 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' D' ' 9' ' ' ALA . . . -83.77 -36.17 23.8 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.655 ' HA ' HD11 ' A' ' 13' ' ' ILE . 1.4 tptt -56.08 -61.22 2.53 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.637 -0.665 . . . . 0.0 109.689 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -44.97 -37.32 3.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.438 -0.789 . . . . 0.0 110.475 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 38.4 mt -65.64 -8.16 18.99 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.318 -0.863 . . . . 0.0 111.075 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -142.97 41.57 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.026 . . . . 0.0 110.677 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.286 -2.175 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.786 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.627 0.727 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.673 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -172.38 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.673 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.9 mp -43.23 -61.1 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -37.28 -42.5 0.47 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.555 ' CZ ' HD13 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -75.61 -55.34 5.75 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.153 179.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.607 ' CD1' HG21 ' C' ' 13' ' ' ILE . 1.1 t80 -60.56 -43.13 97.59 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 109.645 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -63.11 -53.95 45.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.546 -0.721 . . . . 0.0 110.533 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.597 ' O ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -49.63 -21.39 1.01 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.305 -0.872 . . . . 0.0 110.05 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -84.21 -32.7 24.39 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.437 -0.79 . . . . 0.0 109.429 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -71.17 -61.92 1.59 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.587 -0.696 . . . . 0.0 110.169 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -47.21 -28.92 2.07 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.098 -1.002 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 8' ' ' LYS . 30.6 mt -67.81 -14.74 63.2 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.29 -0.881 . . . . 0.0 111.128 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.496 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.8 OUTLIER -146.13 46.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 111.131 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 16.2 mm-40 . . . . . 0 C--N 1.291 -1.958 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.606 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . 0.486 ' O ' ' HD3' ' C' ' 4' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.303 0.573 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.9 OUTLIER -118.51 -14.17 9.68 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 5.3 mp -53.41 -63.79 1.03 Allowed 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.531 ' HG2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -43.31 -27.36 0.24 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' C' ' 2' ' ' TYR . 6.1 mtp180 -84.54 -50.45 7.7 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.716 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' C' ' 9' ' ' ALA . 7.0 t80 -68.05 -44.72 75.72 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -54.01 -58.59 6.75 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.545 -0.722 . . . . 0.0 110.183 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -58.8 -13.62 6.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' C' ' 6' ' ' PHE . . . -91.86 -32.69 15.23 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.423 -0.798 . . . . 0.0 109.285 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -68.96 -59.73 2.85 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.628 -0.67 . . . . 0.0 110.451 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -28.93 4.57 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.988 -1.07 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' B' ' 5' ' ' ARG . 12.5 mt -68.97 -15.28 63.44 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.431 -0.793 . . . . 0.0 111.33 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.607 HG21 ' CD1' ' B' ' 6' ' ' PHE . 1.6 pp -147.94 45.81 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.772 -1.205 . . . . 0.0 111.613 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 32.6 mm-40 . . . . . 0 C--N 1.289 -2.039 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.936 ' HB3' HD12 ' D' ' 3' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.209 -1.042 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.936 HD12 ' HB3' ' D' ' 2' ' ' TYR . 6.3 mp 62.3 -64.64 0.09 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.645 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -51.42 -46.58 62.98 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.296 -1.502 . . . . 0.0 109.503 177.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.628 ' HD3' ' CD1' ' D' ' 2' ' ' TYR . 3.3 ptm180 -86.31 -18.34 32.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 13' ' ' ILE . 8.8 t80 -93.97 -41.57 9.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.184 -0.947 . . . . 0.0 109.62 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' D' ' 3' ' ' LEU . 0.5 OUTLIER -70.09 -44.13 69.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.661 -0.65 . . . . 0.0 110.638 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -42.47 -35.13 0.97 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.254 -0.904 . . . . 0.0 110.112 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -82.84 -29.01 29.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.328 -0.858 . . . . 0.0 109.113 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 12.2 tptt -64.61 -57.63 8.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.705 -0.622 . . . . 0.0 110.148 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -35.11 3.98 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.198 -0.939 . . . . 0.0 109.934 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 12' ' ' LEU . 12.1 mt -64.52 -8.5 14.08 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.305 -0.872 . . . . 0.0 110.483 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.7 OUTLIER -148.89 46.58 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.132 -0.98 . . . . 0.0 111.119 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.291 -1.953 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.706 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 20.0 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.004 0.907 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -178.31 -32.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.9 mp -47.57 -36.48 10.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.635 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -58.36 -42.02 86.0 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.094 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HD2' ' HA ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -77.44 -8.2 57.36 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.506 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -100.6 -55.77 2.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.073 -1.017 . . . . 0.0 110.655 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.635 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.46 -19.41 64.56 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 7.2 mtmm -62.22 -55.1 31.85 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.134 -0.979 . . . . 0.0 109.987 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -69.92 -17.26 63.32 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.467 -0.771 . . . . 0.0 109.563 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -68.46 -57.8 5.28 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.555 -0.715 . . . . 0.0 110.714 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -46.71 -32.89 3.87 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.018 -1.051 . . . . 0.0 109.567 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 9' ' ' ALA . 36.9 mt -63.81 -11.7 29.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.448 -0.782 . . . . 0.0 110.459 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.739 HG21 ' CD1' ' D' ' 6' ' ' PHE . 1.3 pp -144.08 43.88 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 5.5 mm-40 . . . . . 0 C--N 1.288 -2.097 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.577 ' O ' ' CD2' ' B' ' 2' ' ' TYR . 30.3 p . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.603 0.716 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.619 ' O ' ' CD1' ' B' ' 2' ' ' TYR . 0.0 OUTLIER 82.76 -14.69 0.73 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 6' ' ' PHE . 6.2 mt -76.76 -38.24 54.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -49.39 -27.44 4.07 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 176.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.544 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -90.2 -27.51 19.49 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.762 ' HB3' HD23 ' B' ' 3' ' ' LEU . 85.9 t80 -77.46 -54.95 5.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.628 -0.67 . . . . 0.0 110.892 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.2 OUTLIER -62.3 -40.69 97.11 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.065 -1.022 . . . . 0.0 110.162 -179.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' B' ' 7' ' ' PHE . 0.1 OUTLIER -43.47 -51.65 6.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.169 -0.957 . . . . 0.0 109.558 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.819 ' HA ' HD23 ' B' ' 12' ' ' LEU . . . -70.25 -47.32 61.86 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 1.5 tptm -39.76 -47.79 2.12 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.593 -0.692 . . . . 0.0 109.676 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -32.57 7.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 110.463 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' B' ' 9' ' ' ALA . 1.3 pp -74.68 -7.01 51.91 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.045 -1.034 . . . . 0.0 110.679 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 1.035 HD13 ' HA ' ' C' ' 6' ' ' PHE . 0.4 OUTLIER -139.97 45.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.977 . . . . 0.0 110.93 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.293 -1.862 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.682 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . 0.496 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 18.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.562 0.696 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' C' ' 3' ' ' LEU . 1.0 OUTLIER -159.64 -152.52 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.813 ' N ' HD12 ' C' ' 3' ' ' LEU . 6.7 mp 58.37 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -45.49 -53.46 8.86 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.955 -1.09 . . . . 0.0 109.639 179.114 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.93 ' O ' HG21 ' B' ' 13' ' ' ILE . 7.8 ptm180 -81.29 -21.4 39.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 1.035 ' HA ' HD13 ' B' ' 13' ' ' ILE . 3.5 t80 -87.07 -52.07 5.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.398 -0.814 . . . . 0.0 109.908 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -57.26 -42.74 82.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.391 -0.818 . . . . 0.0 109.446 179.054 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -30.36 1.48 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.743 0.782 . . . . 0.0 109.056 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -88.11 -39.01 14.91 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' C' ' 13' ' ' ILE . 5.4 tptm -52.54 -47.94 66.43 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.385 -0.822 . . . . 0.0 109.622 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 2.4 mmtt -46.12 -37.38 6.83 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.13 -0.981 . . . . 0.0 109.311 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 18.7 mt -62.36 -11.95 18.44 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.376 -0.827 . . . . 0.0 110.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.7 pp -138.05 42.79 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.116 -0.99 . . . . 0.0 110.684 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.6 mm-40 . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.787 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.676 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' D' ' 2' ' ' TYR . 8.5 mp -46.99 -57.01 5.44 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -52.74 -19.4 2.41 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.465 179.23 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.549 ' HD3' ' HB2' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -91.67 -16.91 26.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 110.341 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.739 ' CD1' HG21 ' A' ' 13' ' ' ILE . 6.2 t80 -101.29 -51.76 3.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.259 -0.9 . . . . 0.0 110.26 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.9 -23.0 64.14 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.11 -0.994 . . . . 0.0 110.014 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -54.46 -49.99 68.77 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.182 -0.949 . . . . 0.0 110.299 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.579 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -70.06 -22.86 63.03 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.276 -0.89 . . . . 0.0 109.229 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 5.6 tptm -73.37 -65.26 0.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 110.324 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.9 mmtt -44.76 -29.7 0.82 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.953 . . . . 0.0 109.801 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.76 -8.54 48.98 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.381 -0.825 . . . . 0.0 110.725 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.479 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.2 pp -149.28 47.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.145 -0.972 . . . . 0.0 111.042 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.479 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 4.1 mm-40 . . . . . 0 C--N 1.29 -2.012 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.711 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.575 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.342 0.591 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.668 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -110.24 -25.18 10.28 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.847 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.668 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 9.5 mp -44.32 -57.99 3.18 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -41.94 -37.62 1.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.549 ' NH1' HD13 ' D' ' 12' ' ' LEU . 0.0 OUTLIER -79.97 -40.56 27.77 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.225 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -47.33 22.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 0.0 109.485 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -63.5 -40.87 98.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.46 -0.775 . . . . 0.0 110.791 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 9.9 mtpt -46.59 -25.38 0.69 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.232 -0.917 . . . . 0.0 110.204 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -91.86 -27.6 17.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.414 -0.804 . . . . 0.0 109.194 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -67.82 -55.64 12.2 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.654 -0.653 . . . . 0.0 110.224 179.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.39 4.21 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 110.063 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 12' ' ' LEU . 31.7 mt -72.56 -7.27 49.26 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.287 -0.883 . . . . 0.0 110.765 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.615 HG21 ' CD1' ' D' ' 6' ' ' PHE . 0.9 OUTLIER -147.38 46.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 . . . . . 0 C--N 1.29 -1.979 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.69 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 71.9 m . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.606 0.717 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.642 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.95 -30.34 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.642 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 5.3 mp -46.04 -68.09 0.23 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.557 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -43.13 -28.17 0.27 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.557 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 7.0 mtp180 -85.64 -42.85 13.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.302 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 5.0 t80 -73.65 -45.82 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.333 -0.854 . . . . 0.0 109.321 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.83 -54.1 50.34 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.698 -0.626 . . . . 0.0 110.456 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 2.4 mtmt -54.58 -17.27 3.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' B' ' 6' ' ' PHE . . . -86.79 -34.75 19.47 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.396 -0.815 . . . . 0.0 109.421 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -68.15 -60.95 2.09 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -51.42 -19.38 1.35 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 110.358 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.778 ' O ' HG23 ' B' ' 13' ' ' ILE . 28.1 mt -86.02 -1.37 57.28 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.131 -0.981 . . . . 0.0 111.392 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.778 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.6 OUTLIER -161.79 47.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.846 -1.158 . . . . 0.0 111.205 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 38.5 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.662 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.395 0.617 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.713 ' HB3' HD13 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -149.88 -151.17 0.38 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' C' ' 2' ' ' TYR . 0.1 OUTLIER 60.21 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.643 ' HD2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -54.9 -37.43 66.32 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.935 . . . . 0.0 108.965 178.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.659 ' HD3' ' CE1' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -81.28 -28.19 34.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 0.0 109.099 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' B' ' 13' ' ' ILE . 2.5 t80 -85.21 -56.48 3.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.57 -0.706 . . . . 0.0 110.755 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.625 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -64.76 -20.7 66.51 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.116 -0.99 . . . . 0.0 110.458 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.8 OUTLIER -59.96 -52.17 66.54 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.985 -1.072 . . . . 0.0 109.83 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -67.84 -21.53 65.18 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.347 -0.846 . . . . 0.0 109.297 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.488 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -64.37 0.89 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.62 -0.675 . . . . 0.0 110.244 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' C' ' 10' ' ' LYS . 0.1 OUTLIER -42.8 -28.25 0.23 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.256 -0.902 . . . . 0.0 109.689 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 30.5 mt -68.95 -12.85 62.04 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.415 -0.803 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.495 HD13 ' CE1' ' B' ' 6' ' ' PHE . 0.8 OUTLIER -145.6 47.46 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.991 -1.068 . . . . 0.0 111.193 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.488 ' HG3' ' C ' ' C' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.29 -2.009 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.622 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.558 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.498 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 5.9 mp -47.61 -60.56 2.46 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.652 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.96 -25.57 0.82 Allowed 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -88.93 -28.67 20.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 110.311 179.263 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -84.68 -47.8 10.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.73 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.652 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -74.36 -26.39 60.1 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.058 -1.027 . . . . 0.0 110.569 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 7.8 mttt -62.43 -47.68 83.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.058 -1.026 . . . . 0.0 109.68 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -68.3 -26.5 65.66 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.431 -0.793 . . . . 0.0 108.945 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 2.7 tptp -61.32 -63.4 1.3 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.714 -0.616 . . . . 0.0 109.763 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . 0.464 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 1.4 mmtm -38.99 -33.28 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.645 -0.66 . . . . 0.0 110.537 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.549 HD13 ' NH1' ' A' ' 5' ' ' ARG . 13.4 mt -67.32 -17.2 64.67 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 0.0 110.941 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.456 HD12 ' O ' ' D' ' 14' ' ' GLU . 1.9 pp -146.59 -32.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 122.207 1.003 . . . . 0.0 111.982 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' D' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.271 -2.82 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.17 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.561 ' HB2' ' CD ' ' A' ' 4' ' ' ARG . 16.8 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.999 0.904 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 174.67 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.644 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -49.41 -50.02 42.34 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.561 ' CD ' ' HB2' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -51.69 -35.36 42.44 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.56 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.98 -44.27 85.39 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.769 178.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.76 -49.98 54.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.249 -0.907 . . . . 0.0 108.966 179.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 m-85 -53.14 -38.3 62.58 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.469 -0.77 . . . . 0.0 110.347 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.6 mtpp -50.71 -19.7 1.02 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.272 -0.893 . . . . 0.0 109.908 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.876 ' HB2' ' HB1' ' D' ' 9' ' ' ALA . . . -97.41 -22.2 16.74 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 10.6 tptt -72.74 -55.61 6.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.833 -0.542 . . . . 0.0 109.945 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -48.26 -26.12 1.84 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.3 -0.875 . . . . 0.0 109.841 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mt -69.32 -16.33 63.53 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.491 -0.756 . . . . 0.0 110.905 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -146.42 48.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 111.295 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 12.9 mm-40 . . . . . 0 C--N 1.291 -1.938 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.638 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.505 ' O ' ' HD3' ' B' ' 4' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.491 0.662 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.702 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -114.85 -23.55 9.09 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.702 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 6.9 mp -46.15 -61.49 1.74 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.532 ' HB3' ' CZ ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.58 -27.02 0.42 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -85.18 -37.13 20.52 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.788 178.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.55 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 6.2 t80 -83.63 -49.73 8.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.397 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.53 ' HA ' ' HB2' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -55.81 -41.35 74.06 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER -48.9 -23.8 1.24 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.441 179.334 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.592 ' HB2' ' CB ' ' C' ' 9' ' ' ALA . . . -89.68 -25.36 21.26 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.628 ' HE2' HD11 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.22 -61.6 1.93 Allowed 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.321 0.581 . . . . 0.0 109.952 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -46.94 -34.23 5.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' HG3' ' C' ' 5' ' ' ARG . 29.6 mt -70.58 -5.29 28.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.399 -0.813 . . . . 0.0 110.818 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.628 HD11 ' HE2' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -146.1 46.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.025 -1.047 . . . . 0.0 110.862 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.293 -1.855 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.691 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.959 0.885 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.749 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.32 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.749 HD12 ' CE2' ' C' ' 2' ' ' TYR . 7.2 mp -45.9 -31.27 2.07 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -63.18 -47.43 82.67 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -71.71 -14.41 62.02 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.982 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' C' ' 6' ' ' PHE . 0.2 OUTLIER -92.29 -62.97 1.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.303 -0.873 . . . . 0.0 110.631 -179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -62.34 -23.83 66.99 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.971 -1.081 . . . . 0.0 110.475 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 6.4 mttt -56.34 -53.65 54.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.013 -1.054 . . . . 0.0 109.328 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.592 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -58.0 -30.78 66.35 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.532 -0.73 . . . . 0.0 109.76 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.1 OUTLIER -64.4 -66.53 0.53 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.452 -0.78 . . . . 0.0 110.159 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 10' ' ' LYS . 6.3 mmpt? -43.59 -34.25 1.38 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.292 -0.88 . . . . 0.0 109.875 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 27.1 mt -63.15 -12.42 27.55 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.493 -0.754 . . . . 0.0 110.652 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.1 pp -144.54 44.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.041 -1.037 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 13.7 mm-40 . . . . . 0 C--N 1.29 -2.017 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CG ' ' N ' ' D' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.208 -1.114 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.638 ' N ' ' CG ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -49.27 -51.95 30.42 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.61 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -46.67 -29.17 1.74 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.58 ' CD ' ' HA ' ' D' ' 2' ' ' TYR . 0.2 OUTLIER -90.47 -29.75 17.75 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.212 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -84.09 -44.32 14.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.416 -0.803 . . . . 0.0 110.659 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -69.73 -38.76 76.99 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 -179.198 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.6 OUTLIER -54.34 -54.88 34.48 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.124 -0.985 . . . . 0.0 110.451 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.876 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -65.35 -19.16 65.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -71.41 -66.15 0.66 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.509 -0.744 . . . . 0.0 110.318 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' D' ' 10' ' ' LYS . 0.8 OUTLIER -44.34 -29.57 0.69 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.149 -0.97 . . . . 0.0 109.772 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' D' ' 9' ' ' ALA . 47.7 mt -67.62 -15.33 63.59 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.356 -0.84 . . . . 0.0 110.99 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.53 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -150.23 49.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.952 -1.092 . . . . 0.0 111.284 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 22.3 mm-40 . . . . . 0 C--N 1.293 -1.878 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.665 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' B' ' 1' ' ' CYS . 5.5 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.161 0.505 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.72 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -163.5 -99.71 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 4' ' ' ARG . 1.8 pp -54.06 -47.87 71.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.514 -1.274 . . . . 0.0 109.277 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -53.58 -39.71 65.04 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.06 -26.87 40.58 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -96.46 -45.01 6.93 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -62.03 -27.13 68.67 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.647 -0.658 . . . . 0.0 110.641 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 1.7 ttpt -60.69 -14.5 21.25 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.094 -1.004 . . . . 0.0 109.36 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.98 -30.9 13.88 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.69 0.757 . . . . 0.0 109.431 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -69.01 -52.47 28.44 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.612 -0.68 . . . . 0.0 109.944 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -32.87 8.34 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.764 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.524 HD13 HH21 ' D' ' 5' ' ' ARG . 40.4 mt -63.31 -14.61 51.65 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.507 -0.746 . . . . 0.0 110.888 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -142.54 44.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.97 . . . . 0.0 110.959 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 27.4 mm-40 . . . . . 0 C--N 1.29 -1.984 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.752 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.58 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 2.1 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.493 0.664 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.786 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.7 OUTLIER -115.94 -27.26 7.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.786 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 8.1 mp -43.58 -54.65 4.79 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.58 ' NE ' ' HA ' ' B' ' 1' ' ' CYS . 0.3 OUTLIER -42.48 -39.89 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -74.89 -44.08 50.82 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.065 179.042 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.466 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -74.71 -50.43 17.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 0.0 109.951 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.587 ' CE1' ' HE3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -58.52 -40.5 83.08 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.344 -0.848 . . . . 0.0 110.485 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -42.11 -27.05 0.11 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.423 -0.798 . . . . 0.0 110.245 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -87.65 -32.72 19.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.336 -0.852 . . . . 0.0 109.408 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.587 ' HE3' ' CE1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -72.99 -54.72 7.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.905 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -27.75 12.74 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.206 -0.934 . . . . 0.0 109.544 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 13' ' ' ILE . 22.2 mt -74.86 -2.86 28.72 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.462 -0.774 . . . . 0.0 110.939 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.505 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 1.2 pp -151.02 45.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.01 -1.056 . . . . 0.0 111.328 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 8.8 mm-40 . . . . . 0 C--N 1.289 -2.045 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.704 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 2' ' ' TYR . 16.4 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.931 0.872 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.652 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER 176.12 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.652 HD12 ' CE2' ' C' ' 2' ' ' TYR . 8.9 mp -47.24 -47.66 24.64 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -61.9 -22.84 65.91 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.492 179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -99.97 3.97 44.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.931 -1.106 . . . . 0.0 110.309 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -111.14 -47.95 3.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.582 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' C' ' 6' ' ' PHE . 0.3 OUTLIER -74.96 -32.32 61.7 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -61.73 -46.52 89.29 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.43 -0.794 . . . . 0.0 109.676 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -64.23 -28.64 69.87 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.3 tptt -66.63 -64.09 0.93 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.669 -0.645 . . . . 0.0 109.679 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' C' ' 10' ' ' LYS . 38.1 mmtt -43.73 -37.92 2.92 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.237 -0.915 . . . . 0.0 109.817 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' C' ' 9' ' ' ALA . 34.9 mt -63.16 -9.9 12.87 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.415 -0.803 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.514 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.2 pp -146.64 46.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.189 -0.944 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 14.5 mm-40 . . . . . 0 C--N 1.29 -1.989 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.625 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.671 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.671 HD12 ' CE2' ' D' ' 2' ' ' TYR . 9.1 mp -48.18 -59.21 3.58 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -45.95 -26.74 0.76 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.581 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -91.34 -22.97 20.25 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.187 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -91.7 -46.91 7.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.639 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -73.89 -22.72 59.61 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.896 -1.127 . . . . 0.0 110.082 -179.386 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 1.7 mttt -60.63 -52.67 64.17 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.217 -0.927 . . . . 0.0 109.957 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -68.85 -20.92 64.3 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.319 -0.863 . . . . 0.0 108.881 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -64.99 -64.38 0.88 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.727 -0.608 . . . . 0.0 110.091 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' D' ' 12' ' ' LEU . 0.0 OUTLIER -44.68 -30.68 0.98 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 109.758 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' D' ' 11' ' ' LYS . 14.7 mt -67.13 -10.31 48.89 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.364 -0.835 . . . . 0.0 110.25 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.455 HG13 ' O ' ' D' ' 10' ' ' LYS . 1.4 pp -143.81 44.21 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.604 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 3.8 mm-40 . . . . . 0 C--N 1.288 -2.099 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.774 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 74.4 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.399 0.619 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.661 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 1.9 p90 -112.02 -18.4 12.63 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.661 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 6.1 mp -46.11 -68.29 0.21 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.566 ' HG2' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -43.02 -29.44 0.34 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.566 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 3.6 mpp_? -84.55 -38.94 19.39 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.235 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 -81.44 -48.03 12.42 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 109.196 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -52.07 -46.21 65.06 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 8.8 mtpt -50.78 -22.21 2.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.296 -0.877 . . . . 0.0 109.132 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 9' ' ' ALA . . . -93.19 -45.85 7.68 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.1 tptt -46.7 -47.61 20.41 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.709 -0.62 . . . . 0.0 109.647 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -49.01 -28.79 4.22 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.035 -1.041 . . . . 0.0 109.364 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.1 mt -73.19 -9.24 58.51 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.403 -0.81 . . . . 0.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HD2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -140.14 45.2 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.092 -1.005 . . . . 0.0 110.559 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.73 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 10.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.36 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.8 mp -46.35 -65.51 0.54 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -41.39 -31.22 0.23 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -81.24 -49.32 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.146 178.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -69.13 -50.44 47.89 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.485 -0.76 . . . . 0.0 109.464 179.133 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.594 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 0.1 OUTLIER -58.74 -39.98 82.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 110.606 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -46.03 -27.43 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.261 -0.899 . . . . 0.0 109.8 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.559 ' CB ' ' HB1' ' C' ' 9' ' ' ALA . . . -85.23 -30.51 23.78 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 3.8 tptm -63.77 -64.84 0.79 Allowed 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.231 0.539 . . . . 0.0 109.883 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -44.61 -34.68 2.25 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.309 -0.869 . . . . 0.0 110.054 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' B' ' 12' ' ' LEU . 22.1 mt -63.19 -13.67 40.05 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.267 -0.896 . . . . 0.0 110.586 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -147.18 48.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.021 -1.05 . . . . 0.0 111.306 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 6.0 mm-40 . . . . . 0 C--N 1.292 -1.899 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.583 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . 0.518 ' HB2' ' HD3' ' C' ' 4' ' ' ARG . 12.8 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 122.329 1.061 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.63 ' CG ' ' N ' ' C' ' 3' ' ' LEU . 0.2 OUTLIER 174.8 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.63 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -50.64 -51.02 52.79 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.1 OUTLIER -48.0 -28.49 2.8 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.415 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.5 OUTLIER -87.1 -25.7 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.78 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.0 OUTLIER -91.2 -45.13 8.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.038 -1.039 . . . . 0.0 110.738 -179.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -72.1 -26.46 62.15 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.054 -1.029 . . . . 0.0 110.833 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' C' ' 4' ' ' ARG . 0.5 OUTLIER -61.88 -50.2 73.15 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.033 -1.042 . . . . 0.0 109.593 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -65.99 -23.26 66.55 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.812 . . . . 0.0 109.271 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 1.9 tptp -71.47 -64.25 0.96 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.64 -0.663 . . . . 0.0 110.279 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' LYS . 7.0 mmtp -43.72 -32.84 1.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 110.122 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' C' ' 9' ' ' ALA . 36.6 mt -60.71 -16.19 37.04 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.32 -0.863 . . . . 0.0 110.591 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.502 HD13 ' HE2' ' B' ' 6' ' ' PHE . 1.5 pp -145.66 44.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.474 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 5.0 mm-40 . . . . . 0 C--N 1.288 -2.081 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.646 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.579 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 1.1 p90 . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 1.031 HD23 ' HB3' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -52.85 -34.31 53.73 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.623 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -55.79 -18.58 8.81 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER -104.16 -19.19 14.23 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.52 0.676 . . . . 0.0 109.469 178.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.562 ' HB3' ' HA ' ' D' ' 3' ' ' LEU . 1.4 t80 -98.45 -43.84 6.74 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.383 -0.823 . . . . 0.0 110.162 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 1.031 ' HB3' HD23 ' D' ' 3' ' ' LEU . 0.1 OUTLIER -66.85 -29.49 69.42 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 120.969 -1.082 . . . . 0.0 109.191 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.28 -47.3 25.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.478 -0.764 . . . . 0.0 109.304 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 9' ' ' ALA . . . -76.91 -33.46 57.77 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.309 -0.869 . . . . 0.0 108.735 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' D' ' 7' ' ' PHE . 0.6 OUTLIER -51.04 -52.78 39.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.391 -0.818 . . . . 0.0 109.647 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . 0.488 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 2.9 mmtp -42.34 -37.5 1.56 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.422 -0.798 . . . . 0.0 110.153 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 91.5 mt -65.02 -13.69 58.53 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.316 -0.865 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.959 HD12 ' N ' ' D' ' 14' ' ' GLU . 2.8 pp -139.48 -37.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 122.436 1.112 . . . . 0.0 111.766 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.959 ' N ' HD12 ' D' ' 13' ' ' ILE . 1.3 mt-10 . . . . . 0 C--N 1.269 -2.925 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.265 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.489 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.603 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -130.42 -22.0 2.8 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.04 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.603 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.6 mp -46.87 -41.23 15.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.626 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -61.98 -39.35 91.88 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -85.13 -0.61 55.11 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.476 179.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' D' ' 13' ' ' ILE . 1.8 t80 -107.1 -53.98 2.54 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.172 -0.955 . . . . 0.0 110.096 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.23 -24.0 64.86 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.018 -1.051 . . . . 0.0 110.118 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -60.65 -56.28 23.21 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 109.809 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.465 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -66.03 -22.01 66.42 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.356 -0.84 . . . . 0.0 109.142 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -67.09 -65.75 0.64 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.557 -0.714 . . . . 0.0 109.85 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -35.81 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.511 0.672 . . . . 0.0 109.975 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.8 mt -67.85 -43.74 78.79 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.412 -0.805 . . . . 0.0 110.615 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' D' ' 6' ' ' PHE . 1.2 pt -134.53 -6.06 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.006 -1.059 . . . . 0.0 112.64 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.276 -2.6 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.96 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.439 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 122.036 0.922 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -162.24 -39.14 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 6' ' ' PHE . 0.3 OUTLIER -42.4 -40.29 2.49 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.373 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -52.78 -45.96 67.39 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.5 OUTLIER -75.33 -14.21 60.47 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.285 178.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.59 ' HB3' ' HA ' ' B' ' 3' ' ' LEU . 15.4 t80 -94.38 -58.32 2.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.628 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -62.47 -28.54 69.89 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.067 -1.02 . . . . 0.0 109.93 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' B' ' 4' ' ' ARG . 19.5 mtpt -48.92 -52.17 26.09 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.205 -0.934 . . . . 0.0 109.994 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -61.56 -33.91 74.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -62.44 -64.2 1.0 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.345 -0.847 . . . . 0.0 110.188 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 10' ' ' LYS . 37.0 mmtt -43.78 -35.27 1.82 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.144 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 12' ' ' LEU . 16.9 mt -65.81 -10.56 38.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.336 -0.853 . . . . 0.0 111.178 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.515 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.5 OUTLIER -146.79 47.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.03 -1.044 . . . . 0.0 110.894 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 18.4 mm-40 . . . . . 0 C--N 1.292 -1.908 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.693 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . 0.505 ' HA ' ' NE ' ' C' ' 4' ' ' ARG . 14.0 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 122.141 0.972 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' C' ' 2' ' ' TYR . 0.2 OUTLIER -169.7 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.59 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.4 OUTLIER -44.53 -47.31 10.17 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.5 OUTLIER -46.98 -35.14 6.24 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.6 OUTLIER -86.2 -18.55 31.87 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.818 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.3 OUTLIER -95.0 -49.64 5.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.343 -0.848 . . . . 0.0 110.193 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' CD ' ' C' ' 8' ' ' LYS . 0.1 OUTLIER -68.98 -34.25 75.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.025 -1.047 . . . . 0.0 109.634 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.628 ' CD ' ' CZ ' ' C' ' 7' ' ' PHE . 0.4 OUTLIER -44.63 -57.75 3.46 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.752 ' HA ' HD21 ' C' ' 12' ' ' LEU . . . -58.19 -36.79 73.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.629 -0.669 . . . . 0.0 110.179 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.545 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -59.92 -63.63 1.23 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.258 -0.902 . . . . 0.0 109.728 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -49.28 16.55 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 1.069 HD12 HG23 ' C' ' 13' ' ' ILE . 1.0 OUTLIER -65.63 -7.5 15.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.901 -1.125 . . . . 0.0 111.874 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 1.069 HG23 HD12 ' C' ' 12' ' ' LEU . 1.6 pp -134.97 41.23 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.594 -1.316 . . . . 0.0 111.502 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mm-40 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.617 ' O ' ' N ' ' D' ' 5' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.208 -1.126 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' D' ' 6' ' ' PHE . 0.3 OUTLIER -43.04 -46.06 5.45 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.62 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 1.8 mpt_? -46.42 -38.06 8.5 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.1 OUTLIER -84.95 -26.81 26.94 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.241 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -82.11 -43.54 17.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 110.338 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -75.07 -28.96 60.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.085 -1.01 . . . . 0.0 110.282 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' D' ' 4' ' ' ARG . 0.7 OUTLIER -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.176 -0.953 . . . . 0.0 109.683 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' D' ' 8' ' ' LYS . . . -69.3 -22.49 63.79 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.256 -0.903 . . . . 0.0 109.086 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.474 ' C ' ' HG3' ' D' ' 14' ' ' GLU . 10.4 tptt -66.75 -64.88 0.76 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.615 -0.678 . . . . 0.0 110.374 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.5 mmtt -43.31 -34.39 1.2 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.852 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 14.3 mt -61.13 -12.39 12.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.453 -0.78 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.731 HG21 ' CE1' ' A' ' 6' ' ' PHE . 1.2 pp -149.44 46.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.187 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.4 mm-40 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.685 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' NE ' ' A' ' 4' ' ' ARG . 24.4 p . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.657 0.742 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.683 ' CE2' HD12 ' A' ' 3' ' ' LEU . 2.6 p90 -78.58 -19.69 52.21 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 176.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.683 HD12 ' CE2' ' A' ' 2' ' ' TYR . 9.8 mp -47.34 -45.55 24.79 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.997 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -56.98 -15.71 5.51 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 118.689 -1.204 . . . . 0.0 108.491 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -96.8 -22.22 17.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.92 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -97.54 -49.99 4.67 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.901 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.25 -26.61 65.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.985 . . . . 0.0 109.63 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 1.1 mttt -53.0 -56.59 14.96 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' D' ' 9' ' ' ALA . . . -61.58 -31.64 71.7 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.457 -0.777 . . . . 0.0 109.53 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -69.09 -66.31 0.59 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.47 -0.768 . . . . 0.0 110.368 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -32.37 2.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.95 . . . . 0.0 109.864 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' ALA . 56.0 mt -66.54 -9.76 38.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.362 -0.837 . . . . 0.0 110.732 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -149.05 46.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.121 -0.987 . . . . 0.0 111.014 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 29.0 mm-40 . . . . . 0 C--N 1.29 -1.998 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' CYS . . . . . 0.558 ' HA ' ' CD ' ' B' ' 4' ' ' ARG . 22.5 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.525 0.679 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.8 OUTLIER -120.21 -36.27 3.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -43.32 -49.94 6.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.883 0.849 . . . . 0.0 108.736 178.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -43.83 -32.28 1.03 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.8 OUTLIER -88.57 -24.86 22.75 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.437 179.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PHE . . . . . 0.596 ' CD1' HG21 ' C' ' 13' ' ' ILE . 0.4 OUTLIER -89.51 -44.03 10.41 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.24 -0.912 . . . . 0.0 110.679 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -71.12 -32.75 69.39 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.85 -1.156 . . . . 0.0 110.239 -179.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.0 OUTLIER -56.56 -54.97 39.68 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.16 -0.963 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -65.06 -20.53 66.53 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.258 -0.902 . . . . 0.0 109.346 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -67.18 -66.44 0.56 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 109.749 179.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' B' ' 10' ' ' LYS . 5.1 mmtp -34.89 -31.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.385 0.612 . . . . 0.0 110.298 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 10' ' ' LYS . 11.4 mt -66.18 -42.9 88.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 10' ' ' LYS . 1.1 pt -131.97 -8.36 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.928 -1.107 . . . . 0.0 112.448 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.277 -2.573 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.171 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' CYS . . . . . 0.487 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 90.2 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.797 0.808 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' TYR . . . . . 0.955 ' HB3' HD12 ' C' ' 3' ' ' LEU . 0.2 OUTLIER -159.28 -167.14 1.98 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.955 HD12 ' HB3' ' C' ' 2' ' ' TYR . 6.0 mp 65.19 -51.35 0.35 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.527 0.679 . . . . 0.0 109.406 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -67.68 -51.58 48.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.123 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' C' ' 1' ' ' CYS . 0.9 OUTLIER -79.13 5.45 11.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.763 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' PHE . . . . . 0.629 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -104.2 -57.79 1.98 Allowed 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.305 -0.872 . . . . 0.0 109.811 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' PHE . . . . . 0.629 ' N ' ' CD2' ' C' ' 6' ' ' PHE . 1.1 p90 -70.38 -30.61 67.57 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.874 -1.141 . . . . 0.0 109.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -55.93 -50.31 71.1 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.176 -0.952 . . . . 0.0 110.248 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -67.76 -26.61 66.2 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.421 -0.8 . . . . 0.0 108.993 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -61.61 -65.51 0.68 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.745 -0.597 . . . . 0.0 110.324 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mmtt -41.75 -36.17 0.95 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 0.0 110.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 12' ' ' LEU . 51.4 mt -66.67 -11.53 54.4 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.438 -0.789 . . . . 0.0 111.209 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ILE . . . . . 0.596 HG21 ' CD1' ' B' ' 6' ' ' PHE . 0.5 OUTLIER -147.15 50.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.095 -1.003 . . . . 0.0 111.119 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 9.7 mm-40 . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.716 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.969 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 5.4 mp -47.4 -53.78 13.03 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' ARG . . . . . 0.605 ' HG2' ' N ' ' D' ' 5' ' ' ARG . 0.0 OUTLIER -49.82 -28.78 6.83 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.605 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 1.3 ptm180 -95.27 4.97 52.94 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.414 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -114.19 -47.2 2.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.061 -1.024 . . . . 0.0 109.824 179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.3 OUTLIER -75.88 -25.03 55.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.192 -0.943 . . . . 0.0 110.106 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 3.1 mttm -61.03 -52.34 65.39 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.162 -0.961 . . . . 0.0 109.963 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -70.24 -22.28 62.91 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.314 -0.867 . . . . 0.0 109.304 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -63.0 -60.4 3.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.696 -0.628 . . . . 0.0 110.241 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -32.87 1.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.33 -0.856 . . . . 0.0 110.264 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' D' ' 12' ' ' LEU . 26.3 mt -68.98 -8.68 47.01 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.381 -0.824 . . . . 0.0 111.186 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ILE . . . . . 0.525 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -151.04 48.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.933 -1.104 . . . . 0.0 111.096 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.292 -1.904 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.662 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.418 0.628 . . . . 0.0 110.287 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.756 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -115.4 -27.47 7.19 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 178.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.756 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.3 mp -44.16 -56.32 4.16 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.8 OUTLIER -39.85 -38.88 0.73 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' N ' ' O ' ' A' ' 2' ' ' TYR . 4.1 mpp_? -80.55 -51.65 8.51 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.69 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.603 ' HA ' ' HB1' ' D' ' 9' ' ' ALA . 4.8 t80 -64.73 -35.94 82.67 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.094 -1.003 . . . . 0.0 109.914 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -75.72 -47.49 25.84 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.342 -0.849 . . . . 0.0 110.626 -179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -43.17 -27.44 0.22 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.29 -0.881 . . . . 0.0 110.05 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -92.91 -29.61 15.82 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -64.91 -53.65 43.19 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.697 -0.627 . . . . 0.0 109.706 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mmtm -48.9 -26.66 2.58 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.233 -0.917 . . . . 0.0 109.863 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 17.4 mt -74.98 -10.2 59.25 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.347 -0.845 . . . . 0.0 110.792 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -144.49 46.74 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.034 -1.041 . . . . 0.0 110.968 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.974 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.601 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.518 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.385 0.612 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.784 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.6 OUTLIER -118.57 -27.67 5.86 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.784 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.5 mp -42.65 -54.21 4.11 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.527 ' H ' ' CD ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.21 -43.12 6.98 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.73 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.553 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -72.39 -46.39 55.49 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.221 179.392 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -69.93 -51.23 34.56 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.189 -0.944 . . . . 0.0 109.744 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.526 ' O ' ' N ' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -60.0 -41.38 91.98 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.524 -0.735 . . . . 0.0 111.108 -179.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.2 mtmt -46.23 -25.25 0.58 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.95 -1.094 . . . . 0.0 109.921 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.57 ' CB ' ' HB3' ' C' ' 9' ' ' ALA . . . -88.22 -25.33 22.94 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.978 0.894 . . . . 0.0 108.884 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 11.1 tptt -67.56 -64.04 0.94 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.178 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -47.28 -26.94 1.36 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.353 -0.939 . . . . 0.0 109.767 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.471 ' N ' ' HG3' ' B' ' 11' ' ' LYS . 27.0 mt -72.03 -7.85 51.2 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.397 -0.814 . . . . 0.0 110.928 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.43 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -150.98 49.2 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.925 -1.11 . . . . 0.0 111.105 -179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.532 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.5 mm-40 . . . . . 0 C--N 1.29 -1.99 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.82 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.907 0.861 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.764 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.26 -36.15 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 179.076 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.764 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 2.8 mp -43.61 -44.72 6.44 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 107.775 -1.195 . . . . 0.0 107.775 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -50.32 -43.37 53.77 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.557 ' N ' ' O ' ' C' ' 2' ' ' TYR . 1.5 ptm180 -80.1 -3.75 50.0 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.991 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.561 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -107.6 -51.96 2.83 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.987 -1.07 . . . . 0.0 109.965 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -70.62 -21.36 62.65 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.11 -0.994 . . . . 0.0 109.972 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 2.5 mttm -58.62 -51.67 68.94 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 121.164 -0.96 . . . . 0.0 110.235 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.57 ' HB3' ' CB ' ' B' ' 9' ' ' ALA . . . -68.4 -22.69 64.61 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.224 -0.923 . . . . 0.0 109.14 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 21.7 tptt -65.84 -65.33 0.69 Allowed 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.607 -0.683 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.63 -34.16 2.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.146 -0.971 . . . . 0.0 110.164 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' C' ' 8' ' ' LYS . 44.8 mt -66.36 -12.43 56.77 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.249 -0.907 . . . . 0.0 110.891 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.489 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.3 pp -143.6 46.04 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 120.981 -1.074 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.7 mm-40 . . . . . 0 C--N 1.289 -2.044 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.669 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.945 0.879 . . . . 0.0 110.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.773 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER -173.49 -35.41 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.93 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 179.014 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.773 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 4.9 mp -42.3 -48.48 5.0 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' D' ' 8' ' ' LYS . 0.1 OUTLIER -48.95 -45.29 41.6 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.567 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -70.76 -30.85 67.47 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.924 -0.711 . . . . 0.0 110.597 179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.544 ' N ' ' HG2' ' D' ' 5' ' ' ARG . 1.1 t80 -86.27 -55.84 3.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.263 -0.898 . . . . 0.0 109.934 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.502 ' HA ' ' HB2' ' D' ' 10' ' ' LYS . 0.2 OUTLIER -56.67 -32.63 65.6 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.308 -0.87 . . . . 0.0 110.595 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.62 -26.16 1.4 Allowed 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.191 -0.943 . . . . 0.0 110.067 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' HA ' ' A' ' 6' ' ' PHE . . . -90.22 -23.82 21.15 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.397 -0.815 . . . . 0.0 109.021 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -67.58 -59.5 3.3 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.344 0.592 . . . . 0.0 109.414 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -48.93 -26.44 2.49 Favored 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.3 -0.875 . . . . 0.0 109.674 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' D' ' 9' ' ' ALA . 30.2 mt -72.59 -9.4 58.54 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 121.456 -0.777 . . . . 0.0 111.047 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.9 OUTLIER -148.95 47.3 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 120.866 -1.146 . . . . 0.0 111.038 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.522 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 21.2 mm-40 . . . . . 0 C--N 1.291 -1.95 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.692 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.469 ' O ' ' HB3' ' A' ' 2' ' ' TYR . 88.5 m . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.721 0.772 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' C ' ' CD1' ' A' ' 2' ' ' TYR . 0.1 OUTLIER 177.47 -33.11 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 179.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -47.47 -59.88 2.92 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 178.286 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.586 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -45.67 -27.1 0.73 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 177.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.847 ' HD2' HD22 ' B' ' 3' ' ' LEU . 17.9 mtp180 -93.98 -15.75 24.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.559 -0.713 . . . . 0.0 110.667 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.8 t80 -98.54 -45.06 6.23 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 110.413 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.586 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -73.99 -27.22 60.86 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.011 -1.056 . . . . 0.0 110.269 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.518 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.66 -51.41 67.33 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.059 -1.026 . . . . 0.0 109.657 179.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -64.25 -26.58 68.57 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.455 -0.778 . . . . 0.0 110.162 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.524 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -70.33 -64.4 0.9 Allowed 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.377 -0.827 . . . . 0.0 110.45 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 8.6 mptt -45.83 -30.73 1.78 Allowed 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.227 -0.921 . . . . 0.0 110.076 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 92.7 mt -71.0 -8.77 55.61 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.3 -0.875 . . . . 0.0 110.992 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -147.29 47.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.027 -1.045 . . . . 0.0 110.936 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 9.3 mm-40 . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.859 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.565 ' O ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 120.906 0.384 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.665 ' CE2' HD12 ' B' ' 3' ' ' LEU . 0.9 OUTLIER -90.92 -23.4 20.49 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 176.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.847 HD22 ' HD2' ' A' ' 5' ' ' ARG . 7.7 mp -44.36 -53.1 7.11 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.649 ' HD2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -40.82 -26.38 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.482 -0.761 . . . . 0.0 109.125 178.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.649 ' N ' ' HD2' ' B' ' 4' ' ' ARG . 3.0 ptm180 -87.19 -36.26 18.1 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 119.519 -0.872 . . . . 0.0 109.324 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.558 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -88.06 -48.2 7.93 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.59 ' CD1' ' HB3' ' B' ' 10' ' ' LYS . 0.4 OUTLIER -43.36 -32.06 0.77 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.716 -0.615 . . . . 0.0 110.193 179.207 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -40.59 -35.0 0.41 Allowed 'General case' 0 C--N 1.31 -1.131 0 O-C-N 121.454 -0.779 . . . . 0.0 109.623 179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -86.13 -33.7 20.8 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.402 -0.811 . . . . 0.0 108.876 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.59 ' HB3' ' CD1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -53.74 -47.99 70.09 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.454 -0.779 . . . . 0.0 109.713 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.24 -31.77 4.01 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.054 -1.029 . . . . 0.0 109.429 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' B' ' 9' ' ' ALA . 21.5 mt -72.7 -12.45 61.03 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 121.398 -0.814 . . . . 0.0 110.417 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 1.018 HD12 ' OH ' ' C' ' 2' ' ' TYR . 0.1 OUTLIER -132.93 45.78 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.119 -0.988 . . . . 0.0 110.419 179.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.536 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.289 -2.026 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.779 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . 0.513 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 23.4 p . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 122.008 0.908 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 1.018 ' OH ' HD12 ' B' ' 13' ' ' ILE . 0.5 OUTLIER -163.44 -154.0 0.26 Allowed 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.12 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.945 HD12 ' C ' ' C' ' 2' ' ' TYR . 1.8 mp 63.86 -69.57 0.08 Allowed 'General case' 0 C--N 1.29 -2.0 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -55.13 -51.02 67.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.09 -1.006 . . . . 0.0 109.362 178.131 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.943 ' O ' HG21 ' B' ' 13' ' ' ILE . 4.7 ptm180 -85.3 -1.51 57.05 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.045 -1.034 . . . . 0.0 109.524 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.838 ' HA ' HD13 ' B' ' 13' ' ' ILE . 57.1 t80 -104.15 -48.22 3.93 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.409 -0.807 . . . . 0.0 110.715 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' C' ' 7' ' ' PHE . 0.2 OUTLIER -70.33 -32.73 70.59 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 120.952 -1.092 . . . . 0.0 109.658 179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.23 -48.02 35.37 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.216 -0.928 . . . . 0.0 110.001 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.689 ' HB1' ' HB1' ' B' ' 9' ' ' ALA . . . -73.64 -23.52 59.89 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.328 -0.858 . . . . 0.0 109.479 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.638 ' HA ' HD11 ' C' ' 13' ' ' ILE . 2.9 tptp -62.59 -57.49 10.92 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.548 -0.72 . . . . 0.0 110.058 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -44.99 -31.05 1.15 Allowed 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.162 -0.961 . . . . 0.0 110.126 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.535 HD23 ' HE2' ' C' ' 11' ' ' LYS . 29.2 mt -72.34 -6.61 44.52 Favored 'General case' 0 N--CA 1.485 1.313 0 O-C-N 121.296 -0.878 . . . . 0.0 110.627 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.3 pp -142.23 43.65 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.244 -0.91 . . . . 0.0 110.128 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.534 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 7.8 mm-40 . . . . . 0 C--N 1.288 -2.071 0 CA-C-O 117.958 -1.02 . . . . 0.0 110.677 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.521 ' O ' ' HD3' ' D' ' 4' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.508 0.671 . . . . 0.0 110.213 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.693 ' CZ ' HD12 ' D' ' 3' ' ' LEU . 0.9 OUTLIER -112.87 -23.2 10.25 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 178.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.693 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 7.1 mp -46.29 -59.75 2.74 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.1 -26.24 0.72 Allowed 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.475 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -88.13 -29.88 20.24 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 119.859 -0.736 . . . . 0.0 110.002 178.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' D' ' 3' ' ' LEU . 0.1 OUTLIER -88.19 -49.05 7.25 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.383 -0.823 . . . . 0.0 110.711 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.78 -30.15 68.67 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 120.938 -1.101 . . . . 0.0 110.011 -179.534 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 10.6 mttt -50.96 -56.15 13.8 Favored 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.086 -1.009 . . . . 0.0 109.361 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.551 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -56.89 -34.77 68.21 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.452 -0.78 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.512 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.1 OUTLIER -59.13 -69.28 0.2 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.496 -0.753 . . . . 0.0 110.182 179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -43.73 -33.08 1.16 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 110.182 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 16.9 mt -66.17 -14.29 61.62 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.355 -0.841 . . . . 0.0 111.198 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.1 pp -146.21 46.79 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 120.951 -1.093 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 29.6 mm-40 . . . . . 0 C--N 1.29 -2.003 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.762 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.542 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.44 0.638 . . . . 0.0 110.195 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.738 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -120.12 -25.44 5.74 Favored 'General case' 0 C--N 1.296 -1.724 0 C-N-CA 119.593 -0.843 . . . . 0.0 108.878 179.245 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.738 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.1 mp -44.7 -53.89 6.82 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.4 OUTLIER -46.09 -38.75 8.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 177.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -77.84 -39.64 42.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.976 -0.453 . . . . 0.0 110.31 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.567 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -77.56 -49.55 14.42 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.978 -1.076 . . . . 0.0 109.619 179.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -59.27 -40.32 85.69 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.299 -0.876 . . . . 0.0 110.831 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -43.93 -27.76 0.39 Allowed 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.134 -0.979 . . . . 0.0 109.597 179.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HB2' ' CB ' ' D' ' 9' ' ' ALA . . . -83.77 -36.17 23.8 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.655 ' HA ' HD11 ' A' ' 13' ' ' ILE . 1.4 tptt -56.08 -61.22 2.53 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.637 -0.665 . . . . 0.0 109.689 179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -44.97 -37.32 3.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.438 -0.789 . . . . 0.0 110.475 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 38.4 mt -65.64 -8.16 18.99 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.318 -0.863 . . . . 0.0 111.075 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.655 HD11 ' HA ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -142.97 41.57 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.058 -1.026 . . . . 0.0 110.677 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.286 -2.175 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.786 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.627 0.727 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.673 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER -172.38 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.906 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.673 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 7.9 mp -43.23 -61.1 1.43 Allowed 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' B' ' 3' ' ' LEU . 0.0 OUTLIER -37.28 -42.5 0.47 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.1 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.555 ' CZ ' HD13 ' C' ' 12' ' ' LEU . 0.0 OUTLIER -75.61 -55.34 5.75 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.153 179.225 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.607 ' CD1' HG21 ' C' ' 13' ' ' ILE . 1.1 t80 -60.56 -43.13 97.59 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 109.645 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.512 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -63.11 -53.95 45.45 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.546 -0.721 . . . . 0.0 110.533 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.597 ' O ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -49.63 -21.39 1.01 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.305 -0.872 . . . . 0.0 110.05 179.634 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' C' ' 9' ' ' ALA . . . -84.21 -32.7 24.39 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.437 -0.79 . . . . 0.0 109.429 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -71.17 -61.92 1.59 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.587 -0.696 . . . . 0.0 110.169 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -47.21 -28.92 2.07 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.098 -1.002 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.597 HD12 ' O ' ' B' ' 8' ' ' LYS . 30.6 mt -67.81 -14.74 63.2 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.29 -0.881 . . . . 0.0 111.128 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.496 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.8 OUTLIER -146.13 46.92 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 120.946 -1.096 . . . . 0.0 111.131 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 16.2 mm-40 . . . . . 0 C--N 1.291 -1.958 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.606 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . 0.486 ' O ' ' HD3' ' C' ' 4' ' ' ARG . 1.7 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.303 0.573 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' C' ' 3' ' ' LEU . 0.9 OUTLIER -118.51 -14.17 9.68 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 178.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' C' ' 2' ' ' TYR . 5.3 mp -53.41 -63.79 1.03 Allowed 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.531 ' HG2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -43.31 -27.36 0.24 Allowed 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.461 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' C' ' 2' ' ' TYR . 6.1 mtp180 -84.54 -50.45 7.7 Favored 'General case' 0 N--CA 1.491 1.598 0 C-N-CA 119.841 -0.744 . . . . 0.0 109.716 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.526 ' O ' ' HB3' ' C' ' 9' ' ' ALA . 7.0 t80 -68.05 -44.72 75.72 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.21 -0.931 . . . . 0.0 109.042 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -54.01 -58.59 6.75 Favored 'General case' 0 N--CA 1.485 1.296 0 O-C-N 121.545 -0.722 . . . . 0.0 110.183 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -58.8 -13.62 6.63 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.247 -0.908 . . . . 0.0 109.597 179.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' C' ' 6' ' ' PHE . . . -91.86 -32.69 15.23 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.423 -0.798 . . . . 0.0 109.285 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -68.96 -59.73 2.85 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.628 -0.67 . . . . 0.0 110.451 179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.09 -28.93 4.57 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 120.988 -1.07 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' B' ' 5' ' ' ARG . 12.5 mt -68.97 -15.28 63.44 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.431 -0.793 . . . . 0.0 111.33 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.607 HG21 ' CD1' ' B' ' 6' ' ' PHE . 1.6 pp -147.94 45.81 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.772 -1.205 . . . . 0.0 111.613 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 32.6 mm-40 . . . . . 0 C--N 1.289 -2.039 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.736 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.811 0.815 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.936 ' HB3' HD12 ' D' ' 3' ' ' LEU . 0.4 OUTLIER -145.95 -161.93 1.41 Allowed 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 178.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.936 HD12 ' HB3' ' D' ' 2' ' ' TYR . 6.3 mp 62.3 -64.64 0.09 Allowed 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.645 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -51.42 -46.58 62.98 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.296 -1.502 . . . . 0.0 109.503 177.811 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.628 ' HD3' ' CD1' ' D' ' 2' ' ' TYR . 3.3 ptm180 -86.31 -18.34 32.22 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.164 -0.96 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.575 ' CE1' HG12 ' A' ' 13' ' ' ILE . 8.8 t80 -93.97 -41.57 9.51 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.184 -0.947 . . . . 0.0 109.62 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' D' ' 3' ' ' LEU . 0.5 OUTLIER -70.09 -44.13 69.67 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.661 -0.65 . . . . 0.0 110.638 179.673 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -42.47 -35.13 0.97 Allowed 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.254 -0.904 . . . . 0.0 110.112 -179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.564 ' CB ' ' HB2' ' A' ' 9' ' ' ALA . . . -82.84 -29.01 29.75 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.328 -0.858 . . . . 0.0 109.113 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 12.2 tptt -64.61 -57.63 8.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.705 -0.622 . . . . 0.0 110.148 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -45.7 -35.11 3.98 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.198 -0.939 . . . . 0.0 109.934 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' D' ' 12' ' ' LEU . 12.1 mt -64.52 -8.5 14.08 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.305 -0.872 . . . . 0.0 110.483 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.7 OUTLIER -148.89 46.58 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.132 -0.98 . . . . 0.0 111.119 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.528 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.291 -1.953 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.706 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 20.0 m . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.004 0.907 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.662 ' CE2' ' CD1' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -178.31 -32.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.912 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.359 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.662 ' CD1' ' CE2' ' A' ' 2' ' ' TYR . 8.9 mp -47.57 -36.48 10.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.635 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -58.36 -42.02 86.0 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 178.094 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.556 ' HD2' ' HA ' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -77.44 -8.2 57.36 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.905 -0.718 . . . . 0.0 110.506 179.318 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.529 ' CG ' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -100.6 -55.77 2.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.073 -1.017 . . . . 0.0 110.655 -179.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.635 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.46 -19.41 64.56 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.089 -1.007 . . . . 0.0 110.256 -179.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 7.2 mtmm -62.22 -55.1 31.85 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.134 -0.979 . . . . 0.0 109.987 179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HB3' ' CB ' ' D' ' 9' ' ' ALA . . . -69.92 -17.26 63.32 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.467 -0.771 . . . . 0.0 109.563 179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -68.46 -57.8 5.28 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.555 -0.715 . . . . 0.0 110.714 -179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -46.71 -32.89 3.87 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.018 -1.051 . . . . 0.0 109.567 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 9' ' ' ALA . 36.9 mt -63.81 -11.7 29.27 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.448 -0.782 . . . . 0.0 110.459 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.739 HG21 ' CD1' ' D' ' 6' ' ' PHE . 1.3 pp -144.08 43.88 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.236 -0.915 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 5.5 mm-40 . . . . . 0 C--N 1.288 -2.097 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.632 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.577 ' O ' ' CD2' ' B' ' 2' ' ' TYR . 30.3 p . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.603 0.716 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.619 ' O ' ' CD1' ' B' ' 2' ' ' TYR . 0.0 OUTLIER 82.76 -14.69 0.73 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 -178.039 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.762 HD23 ' HB3' ' B' ' 6' ' ' PHE . 6.2 mt -76.76 -38.24 54.47 Favored 'General case' 0 C--N 1.297 -1.676 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.615 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -49.39 -27.44 4.07 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 176.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.544 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -90.2 -27.51 19.49 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.366 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.762 ' HB3' HD23 ' B' ' 3' ' ' LEU . 85.9 t80 -77.46 -54.95 5.82 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.628 -0.67 . . . . 0.0 110.892 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.615 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.2 OUTLIER -62.3 -40.69 97.11 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.065 -1.022 . . . . 0.0 110.162 -179.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' B' ' 7' ' ' PHE . 0.1 OUTLIER -43.47 -51.65 6.53 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.169 -0.957 . . . . 0.0 109.558 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.819 ' HA ' HD23 ' B' ' 12' ' ' LEU . . . -70.25 -47.32 61.86 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 178.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.56 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 1.5 tptm -39.76 -47.79 2.12 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.593 -0.692 . . . . 0.0 109.676 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.28 -32.57 7.5 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.356 -0.84 . . . . 0.0 110.463 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.819 HD23 ' HA ' ' B' ' 9' ' ' ALA . 1.3 pp -74.68 -7.01 51.91 Favored 'General case' 0 C--N 1.308 -1.238 0 O-C-N 121.045 -1.034 . . . . 0.0 110.679 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 1.035 HD13 ' HA ' ' C' ' 6' ' ' PHE . 0.4 OUTLIER -139.97 45.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.136 -0.977 . . . . 0.0 110.93 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.56 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 3.9 mm-40 . . . . . 0 C--N 1.293 -1.862 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.682 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . 0.496 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 18.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.562 0.696 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.731 ' HB3' HD12 ' C' ' 3' ' ' LEU . 1.0 OUTLIER -159.64 -152.52 0.31 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 178.15 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.813 ' N ' HD12 ' C' ' 3' ' ' LEU . 6.7 mp 58.37 -77.85 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.61 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -45.49 -53.46 8.86 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 120.955 -1.09 . . . . 0.0 109.639 179.114 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.93 ' O ' HG21 ' B' ' 13' ' ' ILE . 7.8 ptm180 -81.29 -21.4 39.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 110.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 1.035 ' HA ' HD13 ' B' ' 13' ' ' ILE . 3.5 t80 -87.07 -52.07 5.64 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.398 -0.814 . . . . 0.0 109.908 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.632 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.1 OUTLIER -57.26 -42.74 82.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.391 -0.818 . . . . 0.0 109.446 179.054 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.6 -30.36 1.48 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.743 0.782 . . . . 0.0 109.056 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -88.11 -39.01 14.91 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' C' ' 13' ' ' ILE . 5.4 tptm -52.54 -47.94 66.43 Favored 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.385 -0.822 . . . . 0.0 109.622 179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 2.4 mmtt -46.12 -37.38 6.83 Favored 'General case' 0 N--CA 1.485 1.306 0 O-C-N 121.13 -0.981 . . . . 0.0 109.311 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 18.7 mt -62.36 -11.95 18.44 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.376 -0.827 . . . . 0.0 110.297 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.55 HD11 ' HA ' ' C' ' 10' ' ' LYS . 1.7 pp -138.05 42.79 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 121.116 -0.99 . . . . 0.0 110.684 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.539 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 5.6 mm-40 . . . . . 0 C--N 1.287 -2.14 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.787 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.477 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 21.1 m . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 122.187 0.994 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.676 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER 176.57 -34.27 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.04 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 179.637 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.676 HD12 ' CE2' ' D' ' 2' ' ' TYR . 8.5 mp -46.99 -57.01 5.44 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -52.74 -19.4 2.41 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 119.445 -0.902 . . . . 0.0 109.465 179.23 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.549 ' HD3' ' HB2' ' D' ' 2' ' ' TYR . 0.0 OUTLIER -91.67 -16.91 26.29 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.039 -1.038 . . . . 0.0 110.341 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.739 ' CD1' HG21 ' A' ' 13' ' ' ILE . 6.2 t80 -101.29 -51.76 3.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.259 -0.9 . . . . 0.0 110.26 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -68.9 -23.0 64.14 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.11 -0.994 . . . . 0.0 110.014 179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.532 ' CG ' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -54.46 -49.99 68.77 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.182 -0.949 . . . . 0.0 110.299 179.78 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.579 ' CB ' ' HB3' ' A' ' 9' ' ' ALA . . . -70.06 -22.86 63.03 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.276 -0.89 . . . . 0.0 109.229 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 5.6 tptm -73.37 -65.26 0.84 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.671 -0.643 . . . . 0.0 110.324 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.9 mmtt -44.76 -29.7 0.82 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.953 . . . . 0.0 109.801 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 31.5 mt -69.76 -8.54 48.98 Favored 'General case' 0 C--N 1.305 -1.34 0 O-C-N 121.381 -0.825 . . . . 0.0 110.725 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.479 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 1.2 pp -149.28 47.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.145 -0.972 . . . . 0.0 111.042 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.479 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 4.1 mm-40 . . . . . 0 C--N 1.29 -2.012 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.711 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.575 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.342 0.591 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.668 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.8 OUTLIER -110.24 -25.18 10.28 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 119.595 -0.842 . . . . 0.0 108.847 179.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.668 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 9.5 mp -44.32 -57.99 3.18 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.575 ' NE ' ' HA ' ' A' ' 1' ' ' CYS . 0.2 OUTLIER -41.94 -37.62 1.37 Allowed 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.549 ' NH1' HD13 ' D' ' 12' ' ' LEU . 0.0 OUTLIER -79.97 -40.56 27.77 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.225 179.563 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -76.68 -47.33 22.38 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.074 -1.016 . . . . 0.0 109.485 179.414 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' N ' ' CD2' ' A' ' 6' ' ' PHE . 0.1 OUTLIER -63.5 -40.87 98.2 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.46 -0.775 . . . . 0.0 110.791 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 9.9 mtpt -46.59 -25.38 0.69 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.232 -0.917 . . . . 0.0 110.204 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -91.86 -27.6 17.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.414 -0.804 . . . . 0.0 109.194 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -67.82 -55.64 12.2 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.654 -0.653 . . . . 0.0 110.224 179.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.57 -29.39 4.21 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.1 -1.0 . . . . 0.0 110.063 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 12' ' ' LEU . 31.7 mt -72.56 -7.27 49.26 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.287 -0.883 . . . . 0.0 110.765 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.615 HG21 ' CD1' ' D' ' 6' ' ' PHE . 0.9 OUTLIER -147.38 46.41 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 . . . . . 0 C--N 1.29 -1.979 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.69 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.431 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 71.9 m . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.606 0.717 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.642 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.95 -30.34 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 179.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.642 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 5.3 mp -46.04 -68.09 0.23 Allowed 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.557 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -43.13 -28.17 0.27 Allowed 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.557 ' N ' ' HG2' ' B' ' 4' ' ' ARG . 7.0 mtp180 -85.64 -42.85 13.96 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.3 -0.875 . . . . 0.0 110.302 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.609 ' O ' ' HB3' ' B' ' 9' ' ' ALA . 5.0 t80 -73.65 -45.82 50.42 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.333 -0.854 . . . . 0.0 109.321 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -56.83 -54.1 50.34 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.698 -0.626 . . . . 0.0 110.456 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 2.4 mtmt -54.58 -17.27 3.08 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.128 -0.982 . . . . 0.0 109.649 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' B' ' 6' ' ' PHE . . . -86.79 -34.75 19.47 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.396 -0.815 . . . . 0.0 109.421 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.549 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -68.15 -60.95 2.09 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.304 0.573 . . . . 0.0 110.221 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -51.42 -19.38 1.35 Allowed 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.039 -1.038 . . . . 0.0 110.358 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.778 ' O ' HG23 ' B' ' 13' ' ' ILE . 28.1 mt -86.02 -1.37 57.28 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.131 -0.981 . . . . 0.0 111.392 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.778 HG23 ' O ' ' B' ' 12' ' ' LEU . 0.6 OUTLIER -161.79 47.8 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.846 -1.158 . . . . 0.0 111.205 179.695 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 38.5 mm-40 . . . . . 0 C--N 1.293 -1.883 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.662 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.395 0.617 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.713 ' HB3' HD13 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -149.88 -151.17 0.38 Allowed 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' C' ' 2' ' ' TYR . 0.1 OUTLIER 60.21 -73.96 0.03 OUTLIER 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.556 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.643 ' HD2' ' N ' ' C' ' 5' ' ' ARG . 0.0 OUTLIER -54.9 -37.43 66.32 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.203 -0.935 . . . . 0.0 108.965 178.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.659 ' HD3' ' CE1' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -81.28 -28.19 34.79 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.535 -0.728 . . . . 0.0 109.099 179.643 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.708 ' CE1' HD13 ' B' ' 13' ' ' ILE . 2.5 t80 -85.21 -56.48 3.52 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.57 -0.706 . . . . 0.0 110.755 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.625 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -64.76 -20.7 66.51 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 121.116 -0.99 . . . . 0.0 110.458 -179.056 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.8 OUTLIER -59.96 -52.17 66.54 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 120.985 -1.072 . . . . 0.0 109.83 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' C' ' 12' ' ' LEU . . . -67.84 -21.53 65.18 Favored 'General case' 0 C--N 1.307 -1.282 0 O-C-N 121.347 -0.846 . . . . 0.0 109.297 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.488 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -64.37 0.89 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.62 -0.675 . . . . 0.0 110.244 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' C' ' 10' ' ' LYS . 0.1 OUTLIER -42.8 -28.25 0.23 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.256 -0.902 . . . . 0.0 109.689 179.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 30.5 mt -68.95 -12.85 62.04 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.415 -0.803 . . . . 0.0 110.891 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.495 HD13 ' CE1' ' B' ' 6' ' ' PHE . 0.8 OUTLIER -145.6 47.46 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 120.991 -1.068 . . . . 0.0 111.193 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.488 ' HG3' ' C ' ' C' ' 10' ' ' LYS . 3.2 mm-40 . . . . . 0 C--N 1.29 -2.009 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.622 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.529 ' O ' ' HD3' ' D' ' 4' ' ' ARG . 1.6 m . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.568 0.699 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.558 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 0.7 OUTLIER -116.72 -19.58 9.88 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.498 HD12 ' CZ ' ' D' ' 2' ' ' TYR . 5.9 mp -47.61 -60.56 2.46 Favored 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.652 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -46.96 -25.57 0.82 Allowed 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.558 ' HD2' ' HA ' ' D' ' 2' ' ' TYR . 0.3 OUTLIER -88.93 -28.67 20.13 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.444 -0.785 . . . . 0.0 110.311 179.263 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.615 ' CD1' HG21 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -84.68 -47.8 10.11 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -0.86 . . . . 0.0 110.73 -178.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.652 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -74.36 -26.39 60.1 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.058 -1.027 . . . . 0.0 110.569 -179.088 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 7.8 mttt -62.43 -47.68 83.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.058 -1.026 . . . . 0.0 109.68 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.53 ' CB ' ' CB ' ' A' ' 9' ' ' ALA . . . -68.3 -26.5 65.66 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.431 -0.793 . . . . 0.0 108.945 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.518 ' O ' ' HG2' ' D' ' 14' ' ' GLU . 2.7 tptp -61.32 -63.4 1.3 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.714 -0.616 . . . . 0.0 109.763 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.464 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 1.4 mmtm -38.99 -33.28 0.11 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.645 -0.66 . . . . 0.0 110.537 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.549 HD13 ' NH1' ' A' ' 5' ' ' ARG . 13.4 mt -67.32 -17.2 64.67 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.198 -0.939 . . . . 0.0 110.941 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.456 HD12 ' O ' ' D' ' 14' ' ' GLU . 1.9 pp -146.59 -32.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 CA-C-O 122.207 1.003 . . . . 0.0 111.982 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' D' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.271 -2.82 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.17 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.561 ' HB2' ' CD ' ' A' ' 4' ' ' ARG . 16.8 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.999 0.904 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.644 ' CG ' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER 174.67 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.644 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.7 OUTLIER -49.41 -50.02 42.34 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 179.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.561 ' CD ' ' HB2' ' A' ' 1' ' ' CYS . 0.5 OUTLIER -51.69 -35.36 42.44 Favored 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.56 ' HG2' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -65.98 -44.27 85.39 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.769 178.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.76 -49.98 54.25 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.249 -0.907 . . . . 0.0 108.966 179.258 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.603 ' N ' ' CD1' ' A' ' 6' ' ' PHE . 3.3 m-85 -53.14 -38.3 62.58 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.469 -0.77 . . . . 0.0 110.347 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.6 mtpp -50.71 -19.7 1.02 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.272 -0.893 . . . . 0.0 109.908 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.876 ' HB2' ' HB1' ' D' ' 9' ' ' ALA . . . -97.41 -22.2 16.74 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 10.6 tptt -72.74 -55.61 6.51 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.833 -0.542 . . . . 0.0 109.945 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -48.26 -26.12 1.84 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.3 -0.875 . . . . 0.0 109.841 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 20.4 mt -69.32 -16.33 63.53 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.491 -0.756 . . . . 0.0 110.905 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -146.42 48.35 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.091 -1.006 . . . . 0.0 111.295 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.537 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 12.9 mm-40 . . . . . 0 C--N 1.291 -1.938 0 CA-C-O 118.081 -0.962 . . . . 0.0 110.638 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.505 ' O ' ' HD3' ' B' ' 4' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.491 0.662 . . . . 0.0 110.271 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.702 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.8 OUTLIER -114.85 -23.55 9.09 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 178.629 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.702 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 6.9 mp -46.15 -61.49 1.74 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.532 ' HB3' ' CZ ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -44.58 -27.02 0.42 Allowed 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.563 ' HD2' ' HA ' ' B' ' 2' ' ' TYR . 0.2 OUTLIER -85.18 -37.13 20.52 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.832 -0.747 . . . . 0.0 109.788 178.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.55 ' N ' ' HG2' ' B' ' 5' ' ' ARG . 6.2 t80 -83.63 -49.73 8.9 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.275 -0.891 . . . . 0.0 109.397 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.53 ' HA ' ' HB2' ' B' ' 10' ' ' LYS . 0.2 OUTLIER -55.81 -41.35 74.06 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.5 OUTLIER -48.9 -23.8 1.24 Allowed 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.441 179.334 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.592 ' HB2' ' CB ' ' C' ' 9' ' ' ALA . . . -89.68 -25.36 21.26 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 178.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.628 ' HE2' HD11 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -66.22 -61.6 1.93 Allowed 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.321 0.581 . . . . 0.0 109.952 179.431 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -46.94 -34.23 5.33 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.178 -0.951 . . . . 0.0 109.817 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.562 ' CD1' ' HG3' ' C' ' 5' ' ' ARG . 29.6 mt -70.58 -5.29 28.07 Favored 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.399 -0.813 . . . . 0.0 110.818 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.628 HD11 ' HE2' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -146.1 46.6 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.025 -1.047 . . . . 0.0 110.862 179.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 15.2 mm-40 . . . . . 0 C--N 1.293 -1.855 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.691 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 121.959 0.885 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.749 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER -172.32 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.966 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 179.089 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.749 HD12 ' CE2' ' C' ' 2' ' ' TYR . 7.2 mp -45.9 -31.27 2.07 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.629 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -63.18 -47.43 82.67 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 177.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.573 ' HD2' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -71.71 -14.41 62.02 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 119.625 -0.83 . . . . 0.0 109.982 178.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' C' ' 6' ' ' PHE . 0.2 OUTLIER -92.29 -62.97 1.3 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.303 -0.873 . . . . 0.0 110.631 -179.394 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.629 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.2 OUTLIER -62.34 -23.83 66.99 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 120.971 -1.081 . . . . 0.0 110.475 -179.282 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 6.4 mttt -56.34 -53.65 54.8 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.013 -1.054 . . . . 0.0 109.328 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.592 ' CB ' ' HB2' ' B' ' 9' ' ' ALA . . . -58.0 -30.78 66.35 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.532 -0.73 . . . . 0.0 109.76 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.1 OUTLIER -64.4 -66.53 0.53 Allowed 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.452 -0.78 . . . . 0.0 110.159 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 10' ' ' LYS . 6.3 mmpt? -43.59 -34.25 1.38 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.292 -0.88 . . . . 0.0 109.875 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' C' ' 9' ' ' ALA . 27.1 mt -63.15 -12.42 27.55 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.493 -0.754 . . . . 0.0 110.652 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.48 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.1 pp -144.54 44.8 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.041 -1.037 . . . . 0.0 110.828 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.48 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 13.7 mm-40 . . . . . 0 C--N 1.29 -2.017 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.671 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.563 ' HB2' ' HD3' ' D' ' 4' ' ' ARG . 27.3 p . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 122.388 1.089 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.638 ' CG ' ' N ' ' D' ' 3' ' ' LEU . 0.3 OUTLIER 177.36 -39.72 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.962 0 N-CA-C 105.936 -1.875 . . . . 0.0 105.936 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.638 ' N ' ' CG ' ' D' ' 2' ' ' TYR . 0.4 OUTLIER -49.27 -51.95 30.42 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.61 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -46.67 -29.17 1.74 Allowed 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 177.624 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.58 ' CD ' ' HA ' ' D' ' 2' ' ' TYR . 0.2 OUTLIER -90.47 -29.75 17.75 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.212 178.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -84.09 -44.32 14.17 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.416 -0.803 . . . . 0.0 110.659 -179.308 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.61 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.1 OUTLIER -69.73 -38.76 76.99 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 -179.198 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 0.6 OUTLIER -54.34 -54.88 34.48 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.124 -0.985 . . . . 0.0 110.451 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.876 ' HB1' ' HB2' ' A' ' 9' ' ' ALA . . . -65.35 -19.16 65.83 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.881 . . . . 0.0 109.459 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.501 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -71.41 -66.15 0.66 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.509 -0.744 . . . . 0.0 110.318 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' D' ' 10' ' ' LYS . 0.8 OUTLIER -44.34 -29.57 0.69 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.149 -0.97 . . . . 0.0 109.772 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' D' ' 9' ' ' ALA . 47.7 mt -67.62 -15.33 63.59 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.356 -0.84 . . . . 0.0 110.99 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.53 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -150.23 49.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.952 -1.092 . . . . 0.0 111.284 -179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.53 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 22.3 mm-40 . . . . . 0 C--N 1.293 -1.878 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.665 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' B' ' 1' ' ' CYS . 5.5 p . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 121.161 0.505 . . . . 0.0 110.126 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.72 ' N ' ' CD1' ' A' ' 2' ' ' TYR . 0.0 OUTLIER -163.5 -99.71 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 -179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 4' ' ' ARG . 1.8 pp -54.06 -47.87 71.19 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 118.514 -1.274 . . . . 0.0 109.277 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.829 ' N ' HD12 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -53.58 -39.71 65.04 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.624 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.541 ' N ' ' HG3' ' A' ' 4' ' ' ARG . 0.0 OUTLIER -55.06 -26.87 40.58 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 178.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.612 ' CE2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -96.46 -45.01 6.93 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CD2' ' CE2' ' A' ' 6' ' ' PHE . 0.4 OUTLIER -62.03 -27.13 68.67 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.647 -0.658 . . . . 0.0 110.641 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 1.7 ttpt -60.69 -14.5 21.25 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.094 -1.004 . . . . 0.0 109.36 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -94.98 -30.9 13.88 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.69 0.757 . . . . 0.0 109.431 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -69.01 -52.47 28.44 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.612 -0.68 . . . . 0.0 109.944 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -32.87 8.34 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.764 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.524 HD13 HH21 ' D' ' 5' ' ' ARG . 40.4 mt -63.31 -14.61 51.65 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.507 -0.746 . . . . 0.0 110.888 -179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.507 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 1.0 OUTLIER -142.54 44.0 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.147 -0.97 . . . . 0.0 110.959 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.53 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 27.4 mm-40 . . . . . 0 C--N 1.29 -1.984 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.752 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.58 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 2.1 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 121.493 0.664 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.786 ' CZ ' HD12 ' B' ' 3' ' ' LEU . 0.7 OUTLIER -115.94 -27.26 7.03 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 178.693 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.786 HD12 ' CZ ' ' B' ' 2' ' ' TYR . 8.1 mp -43.58 -54.65 4.79 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.58 ' NE ' ' HA ' ' B' ' 1' ' ' CYS . 0.3 OUTLIER -42.48 -39.89 2.41 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 177.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -74.89 -44.08 50.82 Favored 'General case' 0 N--CA 1.491 1.594 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.065 179.042 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.466 ' CD2' ' N ' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -74.71 -50.43 17.54 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.102 -0.999 . . . . 0.0 109.951 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.587 ' CE1' ' HE3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -58.52 -40.5 83.08 Favored 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.344 -0.848 . . . . 0.0 110.485 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -42.11 -27.05 0.11 Allowed 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.423 -0.798 . . . . 0.0 110.245 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -87.65 -32.72 19.1 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.336 -0.852 . . . . 0.0 109.408 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.587 ' HE3' ' CE1' ' B' ' 7' ' ' PHE . 0.0 OUTLIER -72.99 -54.72 7.87 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.651 -0.656 . . . . 0.0 109.905 179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.7 -27.75 12.74 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.206 -0.934 . . . . 0.0 109.544 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 13' ' ' ILE . 22.2 mt -74.86 -2.86 28.72 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.462 -0.774 . . . . 0.0 110.939 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.505 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 1.2 pp -151.02 45.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.01 -1.056 . . . . 0.0 111.328 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 8.8 mm-40 . . . . . 0 C--N 1.289 -2.045 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.704 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' C' ' 2' ' ' TYR . 16.4 m . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.931 0.872 . . . . 0.0 110.078 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.652 ' CE2' HD12 ' C' ' 3' ' ' LEU . 0.1 OUTLIER 176.12 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.984 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.652 HD12 ' CE2' ' C' ' 2' ' ' TYR . 8.9 mp -47.24 -47.66 24.64 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 178.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.598 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -61.9 -22.84 65.91 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 119.366 -0.934 . . . . 0.0 109.492 179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.62 ' CD ' ' HA ' ' C' ' 2' ' ' TYR . 0.0 OUTLIER -99.97 3.97 44.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.931 -1.106 . . . . 0.0 110.309 178.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -111.14 -47.95 3.15 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.582 179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' C' ' 6' ' ' PHE . 0.3 OUTLIER -74.96 -32.32 61.7 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.17 -0.956 . . . . 0.0 109.618 179.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' C' ' 4' ' ' ARG . 0.0 OUTLIER -61.73 -46.52 89.29 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.43 -0.794 . . . . 0.0 109.676 179.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.577 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -64.23 -28.64 69.87 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.52 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 2.3 tptt -66.63 -64.09 0.93 Allowed 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.669 -0.645 . . . . 0.0 109.679 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' C' ' 10' ' ' LYS . 38.1 mmtt -43.73 -37.92 2.92 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.237 -0.915 . . . . 0.0 109.817 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' C' ' 9' ' ' ALA . 34.9 mt -63.16 -9.9 12.87 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.415 -0.803 . . . . 0.0 110.717 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.514 ' C ' ' HG2' ' C' ' 14' ' ' GLU . 1.2 pp -146.64 46.98 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.189 -0.944 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.52 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 14.5 mm-40 . . . . . 0 C--N 1.29 -1.989 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.625 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 84.6 m . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.832 0.825 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.671 ' CE2' HD12 ' D' ' 3' ' ' LEU . 0.1 OUTLIER 175.88 -32.14 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.671 HD12 ' CE2' ' D' ' 2' ' ' TYR . 9.1 mp -48.18 -59.21 3.58 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -45.95 -26.74 0.76 Allowed 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.581 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -91.34 -22.97 20.25 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.187 179.387 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -91.7 -46.91 7.66 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.279 -0.888 . . . . 0.0 110.639 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -73.89 -22.72 59.61 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 120.896 -1.127 . . . . 0.0 110.082 -179.386 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 1.7 mttt -60.63 -52.67 64.17 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.217 -0.927 . . . . 0.0 109.957 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' D' ' 12' ' ' LEU . . . -68.85 -20.92 64.3 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.319 -0.863 . . . . 0.0 108.881 179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.495 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -64.99 -64.38 0.88 Allowed 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.727 -0.608 . . . . 0.0 110.091 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' D' ' 12' ' ' LEU . 0.0 OUTLIER -44.68 -30.68 0.98 Allowed 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.146 -0.971 . . . . 0.0 109.758 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' D' ' 11' ' ' LYS . 14.7 mt -67.13 -10.31 48.89 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.364 -0.835 . . . . 0.0 110.25 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.455 HG13 ' O ' ' D' ' 10' ' ' LYS . 1.4 pp -143.81 44.21 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.279 -0.888 . . . . 0.0 110.604 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 3.8 mm-40 . . . . . 0 C--N 1.288 -2.099 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.774 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 74.4 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 121.399 0.619 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.661 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 1.9 p90 -112.02 -18.4 12.63 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.661 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 6.1 mp -46.11 -68.29 0.21 Allowed 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.566 ' HG2' ' N ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -43.02 -29.44 0.34 Allowed 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.207 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.566 ' N ' ' HG2' ' A' ' 4' ' ' ARG . 3.6 mpp_? -84.55 -38.94 19.39 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.235 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 2' ' ' TYR . 5.3 t80 -81.44 -48.03 12.42 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.345 -0.847 . . . . 0.0 109.196 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' N ' ' O ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -52.07 -46.21 65.06 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.321 -0.862 . . . . 0.0 109.518 179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 8.8 mtpt -50.78 -22.21 2.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.296 -0.877 . . . . 0.0 109.132 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' D' ' 9' ' ' ALA . . . -93.19 -45.85 7.68 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 178.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 1.1 tptt -46.7 -47.61 20.41 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.709 -0.62 . . . . 0.0 109.647 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -49.01 -28.79 4.22 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.035 -1.041 . . . . 0.0 109.364 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ALA . 14.1 mt -73.19 -9.24 58.51 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.403 -0.81 . . . . 0.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.527 HD11 ' HD2' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -140.14 45.2 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.092 -1.005 . . . . 0.0 110.559 179.523 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.54 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 4.6 mm-40 . . . . . 0 C--N 1.291 -1.946 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.73 -179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' B' ' 2' ' ' TYR . 10.9 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.824 0.821 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.643 ' CE2' ' CD1' ' B' ' 3' ' ' LEU . 0.1 OUTLIER 179.36 -30.68 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 179.4 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.643 ' CD1' ' CE2' ' B' ' 2' ' ' TYR . 7.8 mp -46.35 -65.51 0.54 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' B' ' 5' ' ' ARG . 0.0 OUTLIER -41.39 -31.22 0.23 Allowed 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.548 ' HB3' ' O ' ' B' ' 2' ' ' TYR . 0.0 OUTLIER -81.24 -49.32 10.91 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.146 178.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.594 ' CD1' ' N ' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -69.13 -50.44 47.89 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.485 -0.76 . . . . 0.0 109.464 179.133 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.594 ' N ' ' CD1' ' B' ' 6' ' ' PHE . 0.1 OUTLIER -58.74 -39.98 82.48 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 110.606 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 0.0 OUTLIER -46.03 -27.43 0.93 Allowed 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.261 -0.899 . . . . 0.0 109.8 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.559 ' CB ' ' HB1' ' C' ' 9' ' ' ALA . . . -85.23 -30.51 23.78 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 3.8 tptm -63.77 -64.84 0.79 Allowed 'General case' 0 C--N 1.302 -1.486 0 CA-C-O 121.231 0.539 . . . . 0.0 109.883 179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -44.61 -34.68 2.25 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.309 -0.869 . . . . 0.0 110.054 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.461 ' HA ' HD23 ' B' ' 12' ' ' LEU . 22.1 mt -63.19 -13.67 40.05 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.267 -0.896 . . . . 0.0 110.586 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.4 OUTLIER -147.18 48.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.021 -1.05 . . . . 0.0 111.306 179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 6.0 mm-40 . . . . . 0 C--N 1.292 -1.899 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.583 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . 0.518 ' HB2' ' HD3' ' C' ' 4' ' ' ARG . 12.8 p . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 122.329 1.061 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.63 ' CG ' ' N ' ' C' ' 3' ' ' LEU . 0.2 OUTLIER 174.8 -40.03 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 106.841 -1.541 . . . . 0.0 106.841 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.63 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.9 OUTLIER -50.64 -51.02 52.79 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 178.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.6 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.1 OUTLIER -48.0 -28.49 2.8 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 177.415 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.5 OUTLIER -87.1 -25.7 24.02 Favored 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.78 179.204 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' C' ' 3' ' ' LEU . 0.0 OUTLIER -91.2 -45.13 8.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.038 -1.039 . . . . 0.0 110.738 -179.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.6 ' CE2' ' HA ' ' C' ' 4' ' ' ARG . 0.1 OUTLIER -72.1 -26.46 62.15 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.054 -1.029 . . . . 0.0 110.833 -179.137 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' C' ' 4' ' ' ARG . 0.5 OUTLIER -61.88 -50.2 73.15 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.033 -1.042 . . . . 0.0 109.593 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.559 ' HB1' ' CB ' ' B' ' 9' ' ' ALA . . . -65.99 -23.26 66.55 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.4 -0.812 . . . . 0.0 109.271 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.469 ' C ' ' HG3' ' C' ' 14' ' ' GLU . 1.9 tptp -71.47 -64.25 0.96 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.64 -0.663 . . . . 0.0 110.279 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' C' ' 10' ' ' LYS . 7.0 mmtp -43.72 -32.84 1.1 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 110.122 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' C' ' 9' ' ' ALA . 36.6 mt -60.71 -16.19 37.04 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.32 -0.863 . . . . 0.0 110.591 -179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.502 HD13 ' HE2' ' B' ' 6' ' ' PHE . 1.5 pp -145.66 44.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.11 -0.994 . . . . 0.0 111.083 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.474 ' HG2' ' C ' ' C' ' 13' ' ' ILE . 5.0 mm-40 . . . . . 0 C--N 1.288 -2.081 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.646 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.56 ' O ' ' NE ' ' D' ' 4' ' ' ARG . 35.7 m . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.099 0.476 . . . . 0.0 110.455 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.579 ' HA ' ' HD2' ' D' ' 5' ' ' ARG . 1.1 p90 -100.53 -24.63 14.42 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 1.031 HD23 ' HB3' ' D' ' 7' ' ' PHE . 0.1 OUTLIER -52.85 -34.31 53.73 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.623 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -55.79 -18.58 8.81 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 177.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' D' ' 4' ' ' ARG . 0.4 OUTLIER -104.16 -19.19 14.23 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.52 0.676 . . . . 0.0 109.469 178.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.562 ' HB3' ' HA ' ' D' ' 3' ' ' LEU . 1.4 t80 -98.45 -43.84 6.74 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.383 -0.823 . . . . 0.0 110.162 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 1.031 ' HB3' HD23 ' D' ' 3' ' ' LEU . 0.1 OUTLIER -66.85 -29.49 69.42 Favored 'General case' 0 C--N 1.307 -1.239 0 O-C-N 120.969 -1.082 . . . . 0.0 109.191 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.467 ' HE2' ' O ' ' D' ' 4' ' ' ARG . 0.0 OUTLIER -47.28 -47.3 25.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.478 -0.764 . . . . 0.0 109.304 179.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 9' ' ' ALA . . . -76.91 -33.46 57.77 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.309 -0.869 . . . . 0.0 108.735 178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' D' ' 7' ' ' PHE . 0.6 OUTLIER -51.04 -52.78 39.78 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.391 -0.818 . . . . 0.0 109.647 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.488 ' HA ' ' CD ' ' D' ' 14' ' ' GLU . 2.9 mmtp -42.34 -37.5 1.56 Allowed 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.422 -0.798 . . . . 0.0 110.153 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 91.5 mt -65.02 -13.69 58.53 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.316 -0.865 . . . . 0.0 111.008 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.959 HD12 ' N ' ' D' ' 14' ' ' GLU . 2.8 pp -139.48 -37.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 CA-C-O 122.436 1.112 . . . . 0.0 111.766 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.959 ' N ' HD12 ' D' ' 13' ' ' ILE . 1.3 mt-10 . . . . . 0 C--N 1.269 -2.925 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.265 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.489 ' HA ' ' NE ' ' A' ' 4' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.395 0.617 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.603 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 0.6 OUTLIER -130.42 -22.0 2.8 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.04 179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.603 HD12 ' CZ ' ' A' ' 2' ' ' TYR . 8.6 mp -46.87 -41.23 15.43 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.626 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -61.98 -39.35 91.88 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 2' ' ' TYR . 0.8 OUTLIER -85.13 -0.61 55.11 Favored 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.476 179.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.731 ' CE1' HG21 ' D' ' 13' ' ' ILE . 1.8 t80 -107.1 -53.98 2.54 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.172 -0.955 . . . . 0.0 110.096 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.626 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.3 OUTLIER -68.23 -24.0 64.86 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.018 -1.051 . . . . 0.0 110.118 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -60.65 -56.28 23.21 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.048 -1.033 . . . . 0.0 109.809 179.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.465 ' CB ' ' CB ' ' D' ' 9' ' ' ALA . . . -66.03 -22.01 66.42 Favored 'General case' 0 C--N 1.307 -1.265 0 O-C-N 121.356 -0.84 . . . . 0.0 109.142 179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -67.09 -65.75 0.64 Allowed 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.557 -0.714 . . . . 0.0 109.85 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -35.81 -30.86 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.511 0.672 . . . . 0.0 109.975 179.649 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' LYS . 14.8 mt -67.85 -43.74 78.79 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 121.412 -0.805 . . . . 0.0 110.615 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.593 HD13 ' CD2' ' D' ' 6' ' ' PHE . 1.2 pt -134.53 -6.06 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.006 -1.059 . . . . 0.0 112.64 -178.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.276 -2.6 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.96 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.439 ' HA ' ' NE ' ' B' ' 4' ' ' ARG . 1.2 m . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 122.036 0.922 . . . . 0.0 110.09 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.595 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.1 OUTLIER -162.24 -39.14 0.04 OUTLIER 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.59 ' HA ' ' HB3' ' B' ' 6' ' ' PHE . 0.3 OUTLIER -42.4 -40.29 2.49 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 178.373 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.628 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.8 OUTLIER -52.78 -45.96 67.39 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 177.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.5 OUTLIER -75.33 -14.21 60.47 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.285 178.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.59 ' HB3' ' HA ' ' B' ' 3' ' ' LEU . 15.4 t80 -94.38 -58.32 2.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.628 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -62.47 -28.54 69.89 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.067 -1.02 . . . . 0.0 109.93 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' B' ' 4' ' ' ARG . 19.5 mtpt -48.92 -52.17 26.09 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.205 -0.934 . . . . 0.0 109.994 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' B' ' 12' ' ' LEU . . . -61.56 -33.91 74.66 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.303 -0.873 . . . . 0.0 110.188 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -62.44 -64.2 1.0 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.345 -0.847 . . . . 0.0 110.188 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' B' ' 10' ' ' LYS . 37.0 mmtt -43.78 -35.27 1.82 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.214 -0.929 . . . . 0.0 110.144 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 12' ' ' LEU . 16.9 mt -65.81 -10.56 38.83 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.336 -0.853 . . . . 0.0 111.178 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.515 ' C ' ' HG2' ' B' ' 14' ' ' GLU . 0.5 OUTLIER -146.79 47.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.03 -1.044 . . . . 0.0 110.894 -179.813 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.533 ' CG ' ' O ' ' B' ' 10' ' ' LYS . 18.4 mm-40 . . . . . 0 C--N 1.292 -1.908 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.693 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . 0.505 ' HA ' ' NE ' ' C' ' 4' ' ' ARG . 14.0 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 122.141 0.972 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' C' ' 2' ' ' TYR . 0.2 OUTLIER -169.7 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 179.097 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.59 ' N ' ' CG ' ' C' ' 2' ' ' TYR . 0.4 OUTLIER -44.53 -47.31 10.17 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.58 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.5 OUTLIER -46.98 -35.14 6.24 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 178.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' C' ' 2' ' ' TYR . 0.6 OUTLIER -86.2 -18.55 31.87 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.818 179.295 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' C' ' 7' ' ' PHE . 0.3 OUTLIER -95.0 -49.64 5.45 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.343 -0.848 . . . . 0.0 110.193 179.76 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' CD ' ' C' ' 8' ' ' LYS . 0.1 OUTLIER -68.98 -34.25 75.0 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.025 -1.047 . . . . 0.0 109.634 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.628 ' CD ' ' CZ ' ' C' ' 7' ' ' PHE . 0.4 OUTLIER -44.63 -57.75 3.46 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.076 -1.015 . . . . 0.0 110.11 178.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.752 ' HA ' HD21 ' C' ' 12' ' ' LEU . . . -58.19 -36.79 73.6 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.629 -0.669 . . . . 0.0 110.179 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.545 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.0 OUTLIER -59.92 -63.63 1.23 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.258 -0.902 . . . . 0.0 109.728 179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -49.28 16.55 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.136 -0.977 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 1.069 HD12 HG23 ' C' ' 13' ' ' ILE . 1.0 OUTLIER -65.63 -7.5 15.49 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.901 -1.125 . . . . 0.0 111.874 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 1.069 HG23 HD12 ' C' ' 12' ' ' LEU . 1.6 pp -134.97 41.23 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 O-C-N 120.594 -1.316 . . . . 0.0 111.502 178.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.545 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mm-40 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.532 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.515 ' HA ' ' NE ' ' D' ' 4' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 122.061 0.934 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.617 ' O ' ' N ' ' D' ' 5' ' ' ARG . 0.3 OUTLIER -147.68 -38.6 0.19 Allowed 'General case' 0 C--N 1.289 -2.058 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 178.596 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.59 ' HG ' ' CD1' ' D' ' 6' ' ' PHE . 0.3 OUTLIER -43.04 -46.06 5.45 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.62 ' HA ' ' CE2' ' D' ' 7' ' ' PHE . 1.8 mpt_? -46.42 -38.06 8.5 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.617 ' N ' ' O ' ' D' ' 2' ' ' TYR . 0.1 OUTLIER -84.95 -26.81 26.94 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.241 178.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -82.11 -43.54 17.68 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.158 -0.964 . . . . 0.0 110.338 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' D' ' 6' ' ' PHE . 0.1 OUTLIER -75.07 -28.96 60.56 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.085 -1.01 . . . . 0.0 110.282 -179.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' D' ' 4' ' ' ARG . 0.7 OUTLIER -57.58 -49.19 77.21 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.176 -0.953 . . . . 0.0 109.683 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' D' ' 8' ' ' LYS . . . -69.3 -22.49 63.79 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.256 -0.903 . . . . 0.0 109.086 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.474 ' C ' ' HG3' ' D' ' 14' ' ' GLU . 10.4 tptt -66.75 -64.88 0.76 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.615 -0.678 . . . . 0.0 110.374 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' D' ' 10' ' ' LYS . 2.5 mmtt -43.31 -34.39 1.2 Allowed 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.229 -0.919 . . . . 0.0 109.852 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' D' ' 9' ' ' ALA . 14.3 mt -61.13 -12.39 12.26 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.453 -0.78 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.731 HG21 ' CE1' ' A' ' 6' ' ' PHE . 1.2 pp -149.44 46.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.197 -0.939 . . . . 0.0 111.187 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.505 ' HG2' ' C ' ' D' ' 13' ' ' ILE . 5.4 mm-40 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.685 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.559 ' O ' ' NE ' ' A' ' 4' ' ' ARG . 24.4 p . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 121.657 0.742 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.683 ' CE2' HD12 ' A' ' 3' ' ' LEU . 2.6 p90 -78.58 -19.69 52.21 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 176.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.683 HD12 ' CE2' ' A' ' 2' ' ' TYR . 9.8 mp -47.34 -45.55 24.79 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.997 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.612 ' HA ' ' CE2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -56.98 -15.71 5.51 Favored 'General case' 0 C--N 1.307 -1.271 0 C-N-CA 118.689 -1.204 . . . . 0.0 108.491 178.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.598 ' N ' ' CD ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -96.8 -22.22 17.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.92 179.336 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.437 ' CD2' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -97.54 -49.99 4.67 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.505 -0.747 . . . . 0.0 109.901 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.612 ' CE2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.25 -26.61 65.76 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.123 -0.985 . . . . 0.0 109.63 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 4' ' ' ARG . 1.1 mttt -53.0 -56.59 14.96 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.17 -0.956 . . . . 0.0 109.615 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' D' ' 9' ' ' ALA . . . -61.58 -31.64 71.7 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.457 -0.777 . . . . 0.0 109.53 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -69.09 -66.31 0.59 Allowed 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.47 -0.768 . . . . 0.0 110.368 179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -32.37 2.21 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.179 -0.95 . . . . 0.0 109.864 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 9' ' ' ALA . 56.0 mt -66.54 -9.76 38.11 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.362 -0.837 . . . . 0.0 110.732 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.495 ' C ' ' HG2' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -149.05 46.51 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.121 -0.987 . . . . 0.0 111.014 -179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' CG ' ' O ' ' A' ' 10' ' ' LYS . 29.0 mm-40 . . . . . 0 C--N 1.29 -1.998 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.724 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.558 ' HA ' ' CD ' ' B' ' 4' ' ' ARG . 22.5 m . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.525 0.679 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . 0.562 ' O ' ' N ' ' B' ' 5' ' ' ARG . 0.8 OUTLIER -120.21 -36.27 3.28 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 178.318 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.546 ' N ' ' CG ' ' B' ' 2' ' ' TYR . 0.3 OUTLIER -43.32 -49.94 6.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.883 0.849 . . . . 0.0 108.736 178.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.601 ' HA ' ' CE2' ' B' ' 7' ' ' PHE . 0.2 OUTLIER -43.83 -32.28 1.03 Allowed 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' B' ' 2' ' ' TYR . 0.8 OUTLIER -88.57 -24.86 22.75 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.437 179.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PHE . . . . . 0.596 ' CD1' HG21 ' C' ' 13' ' ' ILE . 0.4 OUTLIER -89.51 -44.03 10.41 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.24 -0.912 . . . . 0.0 110.679 -179.506 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.601 ' CE2' ' HA ' ' B' ' 4' ' ' ARG . 0.1 OUTLIER -71.12 -32.75 69.39 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 120.85 -1.156 . . . . 0.0 110.239 -179.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 4' ' ' ARG . 1.0 OUTLIER -56.56 -54.97 39.68 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.16 -0.963 . . . . 0.0 110.266 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' C' ' 9' ' ' ALA . . . -65.06 -20.53 66.53 Favored 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.258 -0.902 . . . . 0.0 109.346 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 12' ' ' LEU . 0.1 OUTLIER -67.18 -66.44 0.56 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.411 -0.805 . . . . 0.0 109.749 179.355 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.471 ' C ' ' O ' ' B' ' 10' ' ' LYS . 5.1 mmtp -34.89 -31.96 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.385 0.612 . . . . 0.0 110.298 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' B' ' 10' ' ' LYS . 11.4 mt -66.18 -42.9 88.25 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.471 -0.768 . . . . 0.0 110.439 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' B' ' 10' ' ' LYS . 1.1 pt -131.97 -8.36 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 120.928 -1.107 . . . . 0.0 112.448 -179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.277 -2.573 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.171 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' CYS . . . . . 0.487 ' O ' ' HD3' ' C' ' 5' ' ' ARG . 90.2 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.797 0.808 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' TYR . . . . . 0.955 ' HB3' HD12 ' C' ' 3' ' ' LEU . 0.2 OUTLIER -159.28 -167.14 1.98 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.955 HD12 ' HB3' ' C' ' 2' ' ' TYR . 6.0 mp 65.19 -51.35 0.35 Allowed 'General case' 0 C--N 1.288 -2.108 0 CA-C-O 121.527 0.679 . . . . 0.0 109.406 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.603 ' HA ' ' CE2' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -67.68 -51.58 48.05 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 178.123 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' C' ' 1' ' ' CYS . 0.9 OUTLIER -79.13 5.45 11.98 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.763 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . 0.629 ' CD2' ' N ' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -104.2 -57.79 1.98 Allowed 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.305 -0.872 . . . . 0.0 109.811 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' PHE . . . . . 0.629 ' N ' ' CD2' ' C' ' 6' ' ' PHE . 1.1 p90 -70.38 -30.61 67.57 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 120.874 -1.141 . . . . 0.0 109.912 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' C' ' 7' ' ' PHE . 0.0 OUTLIER -55.93 -50.31 71.1 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.176 -0.952 . . . . 0.0 110.248 -179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.536 ' CB ' ' CB ' ' B' ' 9' ' ' ALA . . . -67.76 -26.61 66.2 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.421 -0.8 . . . . 0.0 108.993 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.518 ' O ' ' CG ' ' C' ' 14' ' ' GLU . 0.2 OUTLIER -61.61 -65.51 0.68 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.745 -0.597 . . . . 0.0 110.324 179.62 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' C' ' 10' ' ' LYS . 20.8 mmtt -41.75 -36.17 0.95 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.337 -0.852 . . . . 0.0 110.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' C' ' 12' ' ' LEU . 51.4 mt -66.67 -11.53 54.4 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.438 -0.789 . . . . 0.0 111.209 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ILE . . . . . 0.596 HG21 ' CD1' ' B' ' 6' ' ' PHE . 0.5 OUTLIER -147.15 50.0 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.095 -1.003 . . . . 0.0 111.119 -179.782 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' C' ' 10' ' ' LYS . 9.7 mm-40 . . . . . 0 C--N 1.293 -1.854 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.716 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' CYS . . . . . 0.485 ' O ' ' HB3' ' D' ' 2' ' ' TYR . 80.3 m . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.911 0.862 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' TYR . . . . . 0.637 ' CE2' ' CD1' ' D' ' 3' ' ' LEU . 0.1 OUTLIER 176.01 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.563 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.637 ' CD1' ' CE2' ' D' ' 2' ' ' TYR . 5.4 mp -47.4 -53.78 13.03 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ARG . . . . . 0.605 ' HG2' ' N ' ' D' ' 5' ' ' ARG . 0.0 OUTLIER -49.82 -28.78 6.83 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.363 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.605 ' N ' ' HG2' ' D' ' 4' ' ' ARG . 1.3 ptm180 -95.27 4.97 52.94 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.414 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' PHE . . . . . 0.548 ' CD1' ' N ' ' D' ' 7' ' ' PHE . 0.0 OUTLIER -114.19 -47.2 2.95 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.061 -1.024 . . . . 0.0 109.824 179.557 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' D' ' 4' ' ' ARG . 0.3 OUTLIER -75.88 -25.03 55.74 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.192 -0.943 . . . . 0.0 110.106 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' D' ' 4' ' ' ARG . 3.1 mttm -61.03 -52.34 65.39 Favored 'General case' 0 C--N 1.305 -1.336 0 O-C-N 121.162 -0.961 . . . . 0.0 109.963 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 9' ' ' ALA . . . -70.24 -22.28 62.91 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.314 -0.867 . . . . 0.0 109.304 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.527 ' O ' ' CG ' ' D' ' 14' ' ' GLU . 0.0 OUTLIER -63.0 -60.4 3.5 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.696 -0.628 . . . . 0.0 110.241 179.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -32.87 1.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.33 -0.856 . . . . 0.0 110.264 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . 0.49 HD23 ' HA ' ' D' ' 12' ' ' LEU . 26.3 mt -68.98 -8.68 47.01 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.381 -0.824 . . . . 0.0 111.186 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ILE . . . . . 0.525 ' C ' ' HG2' ' D' ' 14' ' ' GLU . 0.8 OUTLIER -151.04 48.94 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 120.933 -1.104 . . . . 0.0 111.096 -179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' D' ' 10' ' ' LYS . 5.2 mm-40 . . . . . 0 C--N 1.292 -1.904 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.662 -179.077 . . . . . . . . 1 1 . 1 stop_ save_